scoring-functions topic

List scoring-functions repositories

gnina-torch

53
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4
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🔥 PyTorch implementation of GNINA scoring function for molecular docking

verified publisher icon RMeli

ChemFlow

49
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4
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Computational Chemistry Workflows

verified publisher icon IFMlab

deltavina

40
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17
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DeltaVina scoring function

verified publisher icon chengwang88

dyscore

20
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4
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Open source code for DyScore

verified publisher icon YanjunLi-CS