Saoge123

MolFM

Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"

Transformer-M

[ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)

ConPLex

Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.

ccgnet

PocketFlow

an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets

pytorch_geometric

Graph Neural Network Library for PyTorch

Saoge123/PocketFlow

an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets

Saoge123/ccgnet

Saoge123/pytorch_geometric

Graph Neural Network Library for PyTorch