@mat3ra/esse 2023.12.25-4 → 2024.1.7-0
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.
package/package.json
CHANGED
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@@ -0,0 +1,34 @@
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1
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{
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2
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"$id": "software-directory/modeling/deepmd",
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3
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"$schema": "http://json-schema.org/draft-04/schema#",
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"title": "DeePMD app schema",
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"type": "object",
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"allOf": [
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{
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8
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"$ref": "../../software/application.json"
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9
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}
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10
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],
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"properties": {
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"name": {
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"enum": [
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"deepmd"
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15
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]
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},
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"summary": {
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"enum": [
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"DeePMD is a deep learning package that is based on neural network fitted first-principles data for many-body potential energy representation and molecular dynamics"
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]
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},
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"version": {
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23
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"enum": [
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24
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"2.0.2"
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25
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]
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},
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"exec": {
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28
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"enum": [
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29
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"dp_prepare",
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"dp_train"
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]
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32
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}
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33
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}
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34
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}
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