Taka's repositories
postresql-rdkit-build
memo for building cartridge
Language:PythonNOASSERTION000
GNNImplicitSolvent
Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations
MIT-0000
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chembl_multitask_model
Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS
Language:Python000
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rdkitugm2023_hackathon
code for RDKitUGM Hackathon
Language:PythonGPL-3.0000
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fragit-main
FragIt main repository
Language:PythonNOASSERTION000
Lilly-Medchem-Rules
Implementation of Lilly Medchem Rules - J Med Chem 2012
Language:PythonMIT000
awesome-readme
A curated list of awesome READMEs
000
github-slideshow
A robot powered training repository :robot:
Language:HTMLMIT000
molplotly4flask
awesome package molplotly for flask