Pat's repositories
AutoSolvate_Tempt
Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
BSD-3-Clause000
DiGress
code for the paper "DiGress: Discrete Denoising diffusion for graph generation"
MIT000
solv_gnn
GNNs for predicting solubility of molecules in organic solvents using PyTorch and DGL
Language:Jupyter Notebook000
ygopro-core
ygopro script engine.
Language:C++MIT000
Apache-2.0000
molSimplify
molSimplify code
GPL-3.0000
000
mlsolva
A deep learning solvation model
BSD-3-Clause000
chemicaltagger
ChemicalTagger is a tool for semantic text-mining in chemistry.
Apache-2.0000
checker-game-w-AI-
Final Project
Language:Java000
Language:Java000
Language:Java000
Language:Java000