torchani 0.2.1__tar.gz → 0.4__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/__init__.py +6 -3
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/__pycache__/__init__.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/__pycache__/_six.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/__pycache__/aev.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/__pycache__/ase.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/__pycache__/ignite.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/__pycache__/models.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/__pycache__/nn.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/__pycache__/utils.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/_six.py +5 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/aev.py +341 -250
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/ase.py +18 -96
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/data/__init__.py +1 -1
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/data/__pycache__/__init__.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/data/__pycache__/_pyanitools.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/data/__pycache__/cache_aev.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/data/_pyanitools.py +3 -7
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/ignite.py +3 -4
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/models.py +110 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/neurochem/__init__.py +465 -380
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/neurochem/__pycache__/__init__.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/neurochem/__pycache__/_six.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/neurochem/__pycache__/trainer.cpython-37.pyc +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/neurochem/_six.py +5 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/nn.py +1 -1
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/sae_linfit.dat +4 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/cost.dat +2414 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/inputtrain.ipt +143 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-C.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-C.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-C.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-C.nnf-l4.wparam +3 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-H.nnf +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-H.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-H.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-H.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-H.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-N.nnf +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-N.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-N.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-N.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-N.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-O.nnf +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-O.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-O.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-O.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/networks/ANN-O.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/output.opt +67613 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/sae_linfit.dat +4 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train0/tolerance.dat +2414 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/cost.dat +3530 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/inputtrain.ipt +143 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-C.nnf +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-C.nnf-l2.bparam +4 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-C.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-C.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-C.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-H.nnf +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-H.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-H.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-H.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-H.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-N.nnf-l2.bparam +2 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-N.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-N.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-N.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-O.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-O.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-O.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/networks/ANN-O.nnf-l4.wparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/output.opt +98861 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/sae_linfit.dat +4 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train1/tolerance.dat +3530 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/cost.dat +3289 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/inputtrain.ipt +143 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-C.nnf +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-C.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-C.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-C.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-C.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-H.nnf +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-H.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-H.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-H.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-H.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-N.nnf-l2.bparam +3 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-N.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-N.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-N.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-O.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-O.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-O.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/networks/ANN-O.nnf-l4.wparam +3 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/output.opt +92113 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/sae_linfit.dat +4 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train2/tolerance.dat +3289 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/cost.dat +2657 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/inputtrain.ipt +143 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-C.nnf +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-C.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-C.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-C.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-C.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-H.nnf +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-H.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-H.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-H.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-H.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-N.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-N.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-N.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-N.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-O.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-O.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-O.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/networks/ANN-O.nnf-l4.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/output.opt +74417 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/sae_linfit.dat +4 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train3/tolerance.dat +2657 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train4/cost.dat +2595 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train4/inputtrain.ipt +143 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train4/networks/ANN-C.nnf-l2.bparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train4/networks/ANN-C.nnf-l2.wparam +0 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train4/networks/ANN-C.nnf-l4.bparam +1 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1ccx_8x/train4/networks/ANN-C.nnf-l4.wparam +0 -0
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- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/{torchani-0.2.1-py3.7.egg-info → torchani-0.4-py3.7.egg-info}/PKG-INFO +1 -1
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani-0.4-py3.7.egg-info/SOURCES.txt +2931 -0
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/ani-1x_dft_x8ens/train +0 -2
- opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani-0.2.1-py3.7.egg-info/SOURCES.txt +0 -521
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/rHCNO-5.2R_16-3.5A_a4-8.params +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-C.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-C.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-C.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-C.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-C.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-H.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-H.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-H.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-H.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-N.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-N.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-N.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-N.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-O.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-O.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-O.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/networks/ANN-O.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train0/rHCNO-5.2R_16-3.5A_a4-8.params +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-C.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-C.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-C.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-C.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-H.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-H.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-H.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-H.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train0 → ani-1ccx_8x/train1}/networks/ANN-N.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-N.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-N.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-N.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-N.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train0 → ani-1ccx_8x/train1}/networks/ANN-O.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-O.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-O.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-O.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/networks/ANN-O.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train1/rHCNO-5.2R_16-3.5A_a4-8.params +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-C.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-C.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-C.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-C.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-H.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-H.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-H.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-H.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train1 → ani-1ccx_8x/train2}/networks/ANN-N.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-N.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-N.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-N.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-N.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train1 → ani-1ccx_8x/train2}/networks/ANN-O.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-O.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-O.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-O.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/networks/ANN-O.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train2/rHCNO-5.2R_16-3.5A_a4-8.params +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train3/networks/ANN-C.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train3/networks/ANN-C.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train3/networks/ANN-C.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train3/networks/ANN-C.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train3/networks/ANN-H.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train3/networks/ANN-H.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train3/networks/ANN-H.nnf-l3.bparam +0 -0
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- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train2 → ani-1ccx_8x/train3}/networks/ANN-N.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train3/networks/ANN-N.nnf-l1.bparam +0 -0
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- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train2 → ani-1ccx_8x/train3}/networks/ANN-O.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train3/networks/ANN-O.nnf-l1.bparam +0 -0
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- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train1 → ani-1ccx_8x/train4}/networks/ANN-C.nnf +0 -0
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- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train3 → ani-1ccx_8x/train4}/networks/ANN-N.nnf +0 -0
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- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train4/networks/ANN-O.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train4/networks/ANN-O.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train4/rHCNO-5.2R_16-3.5A_a4-8.params +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-C.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-C.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-C.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-C.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-H.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-H.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-H.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-H.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-N.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-N.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-N.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-N.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-O.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-O.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-O.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/networks/ANN-O.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train5/rHCNO-5.2R_16-3.5A_a4-8.params +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train2 → ani-1ccx_8x/train6}/networks/ANN-C.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-C.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-C.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-C.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-C.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-H.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-H.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-H.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-H.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-N.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-N.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-N.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-N.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-O.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-O.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-O.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/networks/ANN-O.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train6/rHCNO-5.2R_16-3.5A_a4-8.params +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train3 → ani-1ccx_8x/train7}/networks/ANN-C.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-C.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-C.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-C.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-C.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-H.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-H.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-H.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-H.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-N.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-N.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-N.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-N.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-O.nnf-l1.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-O.nnf-l1.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-O.nnf-l3.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/networks/ANN-O.nnf-l3.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1ccx_8x}/train7/rHCNO-5.2R_16-3.5A_a4-8.params +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train0 → ani-1x_8x}/inputtrain.ipt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/sae_linfit.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/cost.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train1 → ani-1x_8x/train0}/inputtrain.ipt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train4 → ani-1x_8x/train0}/networks/ANN-C.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-C.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-C.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-C.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-C.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-H.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-H.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-H.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-H.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-H.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train4 → ani-1x_8x/train0}/networks/ANN-N.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-N.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-N.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-N.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-N.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train4 → ani-1x_8x/train0}/networks/ANN-O.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-O.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-O.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-O.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/networks/ANN-O.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/output.opt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/sae_linfit.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train0/tolerance.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/cost.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train2 → ani-1x_8x/train1}/inputtrain.ipt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train5 → ani-1x_8x/train1}/networks/ANN-C.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-C.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-C.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-C.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-C.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-H.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-H.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-H.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-H.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-H.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train5 → ani-1x_8x/train1}/networks/ANN-N.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-N.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-N.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-N.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-N.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train5 → ani-1x_8x/train1}/networks/ANN-O.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-O.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-O.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-O.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/networks/ANN-O.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/output.opt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/sae_linfit.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train1/tolerance.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/cost.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train3 → ani-1x_8x/train2}/inputtrain.ipt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train6 → ani-1x_8x/train2}/networks/ANN-C.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-C.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-C.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-C.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-C.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-H.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-H.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-H.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-H.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-H.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train6 → ani-1x_8x/train2}/networks/ANN-N.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-N.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-N.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-N.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-N.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train6 → ani-1x_8x/train2}/networks/ANN-O.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-O.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-O.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-O.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/networks/ANN-O.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/output.opt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/sae_linfit.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train2/tolerance.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/cost.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train4 → ani-1x_8x/train3}/inputtrain.ipt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train7 → ani-1x_8x/train3}/networks/ANN-C.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-C.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-C.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-C.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-C.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-H.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-H.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-H.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-H.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-H.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train7 → ani-1x_8x/train3}/networks/ANN-N.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-N.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-N.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-N.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-N.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train7 → ani-1x_8x/train3}/networks/ANN-O.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-O.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-O.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-O.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/networks/ANN-O.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/output.opt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/sae_linfit.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train3/tolerance.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/cost.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train5 → ani-1x_8x/train4}/inputtrain.ipt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-C.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-C.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-C.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-C.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-H.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-H.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-H.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-H.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-H.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-N.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-N.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-N.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-N.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-O.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-O.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-O.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/networks/ANN-O.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/output.opt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/sae_linfit.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train4/tolerance.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/cost.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train6 → ani-1x_8x/train5}/inputtrain.ipt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-C.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-C.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-C.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-C.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-H.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-H.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-H.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-H.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-H.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-N.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-N.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-N.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-N.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-O.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-O.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-O.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/networks/ANN-O.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/output.opt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/sae_linfit.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train5/tolerance.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/cost.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens/train7 → ani-1x_8x/train6}/inputtrain.ipt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-C.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-C.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-C.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-C.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-H.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-H.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-H.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-H.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-H.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-N.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-N.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-N.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-N.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-O.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-O.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-O.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/networks/ANN-O.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/output.opt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/sae_linfit.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train6/tolerance.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/cost.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-C.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-C.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-C.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-C.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-H.nnf +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-H.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-H.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-H.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-H.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-N.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-N.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-N.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-N.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-O.nnf-l2.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-O.nnf-l2.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-O.nnf-l4.bparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/networks/ANN-O.nnf-l4.wparam +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/output.opt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/sae_linfit.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/torchani/resources/{ani-1x_dft_x8ens → ani-1x_8x}/train7/tolerance.dat +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/{torchani-0.2.1-py3.7.egg-info → torchani-0.4-py3.7.egg-info}/dependency_links.txt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/{torchani-0.2.1-py3.7.egg-info → torchani-0.4-py3.7.egg-info}/requires.txt +0 -0
- /opt/hostedtoolcache/Python/3.7.0/x64/lib/python3.7/site-packages/{torchani-0.2.1-py3.7.egg-info → torchani-0.4-py3.7.egg-info}/top_level.txt +0 -0
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from .utils import EnergyShifter
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__all__ = ['AEVComputer', 'EnergyShifter', 'ANIModel', 'Ensemble',
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'ignite', 'utils', 'neurochem', 'data']
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