kmaziarz Goto Github PK
Name: Krzysztof Maziarz
Type: User
Company: Microsoft
Krzysztof Maziarz's Projects
chemformer
deepqmc
Deep learning quantum Monte Carlo for electrons in real space
graph2edits
hgraph2graph
Hierarchical Generation of Molecular Graphs using Structural Motifs
localretro
Retrosynthesis Prediction by Learning the Local Chemical Reactivity with Nonlocal Attention
megan
Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"
mhn-react
Modern Hopfield Network (MHN) for template relevance prediction
pysmilesutils
Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
rootaligned
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