Pinned Repositories
Awesome-Graph-Structure-Learning
A curated list of awesome graph structure learning approaches
MOCO
MolScaling
Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).
Awesome-Graph-Structure-Learning
A curated list of awesome graph structure learning approaches
REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
BioT5
BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)
GEAM
Official code repository for the paper Drug Discovery with Dynamic Goal-aware Fragments (ICML 2024)
Data-reindeer's Repositories
Data-reindeer/MolScaling
Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).
Data-reindeer/MOCO
Data-reindeer/Awesome-Graph-Structure-Learning
A curated list of awesome graph structure learning approaches