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OpenSourceMolecularModeling.github.io
OpenSourceMolecularModeling.github.io PublicForked from OpenSourceMolecularModeling/OpenSourceMolecularModeling.github.io
Catalog of Open Source Molecular Modeling Projects
CSS
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DLSCORE
DLSCORE PublicForked from sirimullalab/DLSCORE
DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
Python
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fep-benchmark
fep-benchmark PublicForked from MCompChem/fep-benchmark
Benchmark set for relative free energy calculations.
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3DGCN
3DGCN PublicForked from blackmints/3DGCN
Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
Python
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