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FlowDock Public
Forked from BioinfoMachineLearning/FlowDockGeometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction
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UGM_2024 Public
Forked from rdkit/UGM_202413th RDKit UGM. 11-13 September in Zurich, Switzerland
Jupyter Notebook UpdatedNov 28, 2024 -
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PythonDataScienceHandbook Public
Forked from jakevdp/PythonDataScienceHandbookPython Data Science Handbook: full text in Jupyter Notebooks
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RoseTTAFold-All-Atom Public
Forked from baker-laboratory/RoseTTAFold-All-AtomPython Other UpdatedApr 13, 2024 -
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chembl_multitask_model Public
Forked from chembl/chembl_multitask_modelTarget prediction multitask neural network, with examples running it in Python, C++, Julia and JS
Python UpdatedJan 8, 2024 -
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rdkitugm2023_hackathon Public
code for RDKitUGM Hackathon
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DiffDock Public
Forked from gcorso/DiffDockImplementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
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fragit-main Public
Forked from FragIt/fragit-mainFragIt main repository
Python Other UpdatedFeb 28, 2023 -
Lilly-Medchem-Rules Public
Forked from IanAWatson/Lilly-Medchem-RulesImplementation of Lilly Medchem Rules - J Med Chem 2012
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