UniversalNature's repositories
constrained-graph-variational-autoencoder
Sample code for Constrained Graph Variational Autoencoders
antibiotic
Reproducing results from "A Deep Learning Approach to Antibiotic Discovery"
Language:Jupyter NotebookMIT000
AttentiveFP
GNN for drug discovery
Language:Jupyter Notebook000
BIMODAL
Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
Language:Python000
graphx-conv
Official implementation of GraphX-Convolution
Language:PythonMIT000
logd74
A high-quality hand-curated logD7.4 dataset of 1,130 compounds
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MAT
The official implementation of the Molecule Attention Transformer.
Language:PythonMIT000
pinky
molecular fingerprint library
Language:PythonBSD-2-Clause000
SkipGNN
SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks (Scientific Reports)
Language:Jupyter NotebookBSD-3-Clause000