Gihan Panapitiya's repositories
awesome-pretrain-on-molecules
[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
DeepTTC
DeepTTC: a transformer-based model for predicting cancer drug response
DRPreter
DRPreter: Interpretable Anticancer Drug Response Prediction Using Knowledge-Guided Graph Neural Networks and Transformer
DrugCell
A visible neural network model for drug response prediction
fireball-create
Compute the Fireball interatomic interactions
fireball-lightning
Post-processing tool for Fireball electronic density
fireball-master
Master repository for most of the sources
HiDRA
HiDRA
materials-property-prediction
A collection of scripts and notebooks for materials property prediction using machine learning.
paccmann_datasets
pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
Paccmann_MCA
PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction prediction
papers-for-molecular-design-using-DL
List of molecular design using Generative AI and Deep Learning
random_substitution
Some tools to generate randomly substituted molecular/crystal systems
Supervisor
A fork of the Candle Supervisor
SWnet
Core code for the paper "A deep learning model for drug response prediction from cancer genomic signatures and compound chemical structures"