boltz2-python-client 0.2__py3-none-any.whl → 0.3.2__py3-none-any.whl
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.
- boltz2_client/__init__.py +62 -1
- boltz2_client/__main__.py +9 -0
- boltz2_client/a3m_to_csv_converter.py +1661 -0
- boltz2_client/cli.py +850 -44
- boltz2_client/client.py +539 -16
- boltz2_client/data/__init__.py +3 -0
- boltz2_client/data/speclist.txt +59804 -0
- boltz2_client/models.py +1 -1
- boltz2_client/msa_search.py +489 -0
- boltz2_client/multi_endpoint_client.py +1679 -0
- boltz2_client/virtual_screening.py +11 -3
- {boltz2_python_client-0.2.dist-info → boltz2_python_client-0.3.2.dist-info}/METADATA +237 -30
- boltz2_python_client-0.3.2.dist-info/RECORD +20 -0
- boltz2_python_client-0.2.dist-info/RECORD +0 -14
- {boltz2_python_client-0.2.dist-info → boltz2_python_client-0.3.2.dist-info}/WHEEL +0 -0
- {boltz2_python_client-0.2.dist-info → boltz2_python_client-0.3.2.dist-info}/entry_points.txt +0 -0
- {boltz2_python_client-0.2.dist-info → boltz2_python_client-0.3.2.dist-info}/licenses/LICENSE +0 -0
- {boltz2_python_client-0.2.dist-info → boltz2_python_client-0.3.2.dist-info}/top_level.txt +0 -0
boltz2_client/__init__.py
CHANGED
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@@ -26,8 +26,9 @@ Example:
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>>> print(f"Confidence: {result.confidence_scores[0]:.3f}")
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"""
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-
__version__ = "0.2"
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__version__ = "0.3.2"
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__author__ = "NVIDIA Corporation"
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__email__ = "bionemo-support@nvidia.com"
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from .client import Boltz2Client, Boltz2SyncClient, EndpointType
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from .models import (
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@@ -39,6 +40,7 @@ from .models import (
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BondConstraint,
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Atom,
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AlignmentFileRecord,
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AlignmentFormat,
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HealthStatus,
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ServiceMetadata,
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)
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@@ -57,6 +59,35 @@ from .virtual_screening import (
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VirtualScreeningResult,
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quick_screen,
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)
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from .multi_endpoint_client import (
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MultiEndpointClient,
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LoadBalanceStrategy,
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EndpointConfig,
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)
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from .msa_search import (
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MSASearchClient,
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MSASearchIntegration,
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MSASearchRequest,
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MSASearchResponse,
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MSAFormatConverter,
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)
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from .a3m_to_csv_converter import (
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A3MToCSVConverter,
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A3MParser,
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A3MMSA,
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A3MSequence,
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convert_a3m_to_multimer_csv,
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create_multimer_msa_request,
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create_paired_msa_per_chain,
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save_prediction_outputs,
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get_prediction_summary,
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ConversionResult,
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GreedyPairingStrategy,
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CompletePairingStrategy,
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TaxonomyPairingStrategy,
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SpeciesMapper,
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SPECIES_TO_TAXID,
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)
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# Optional imports for visualization
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try:
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"BondConstraint",
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"Atom",
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"AlignmentFileRecord",
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"AlignmentFormat",
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"HealthStatus",
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"ServiceMetadata",
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"AffinityPrediction",
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"CompoundLibrary",
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"VirtualScreeningResult",
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"quick_screen",
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# Multi-endpoint support
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"MultiEndpointClient",
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"LoadBalanceStrategy",
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"EndpointConfig",
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# MSA Search NIM integration
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"MSASearchClient",
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"MSASearchIntegration",
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"MSASearchRequest",
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"MSASearchResponse",
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"MSAFormatConverter",
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# A3M to CSV Multimer Converter
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"A3MToCSVConverter",
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"A3MParser",
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"A3MMSA",
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"A3MSequence",
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"convert_a3m_to_multimer_csv",
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"create_multimer_msa_request",
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"create_paired_msa_per_chain",
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"save_prediction_outputs",
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"get_prediction_summary",
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"ConversionResult",
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"GreedyPairingStrategy",
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"CompletePairingStrategy",
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"TaxonomyPairingStrategy",
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"SpeciesMapper",
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"SPECIES_TO_TAXID",
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]
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# Add visualization exports if available
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