Minh Duc Cao's repositories
3DLinker
An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
amromics
Antimicrobial Resistance Analysis
chroma
A generative model for programmable protein design
ConPLex
Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.
datamol
Molecular Manipulation Made Easy.
dockstring
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
evo
DNA foundation modeling from molecular to genome scale
exmol
Explainer for black box models that predict molecule properties
google-research
Google Research
gpt_index
GPT Index is a project consisting of a set of data structures designed to make it easier to use large external knowledge bases with LLMs.
MolGen
Code and pre-trained model for the paper "Molecular Language Model as Multi-task Generator."
molpal
active learning for accelerated high-throughput virtual screening
NeuralPLexer
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
Pocket2Mol
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
Protac-Design
UROP Project @ Coley Group
ProteinMPNN
Code for the ProteinMPNN paper
REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
ResGen
3D_Molecular_Generation
rf_diffusion_all_atom
Public RFDiffusionAA repo
RFdiffusion
Code for running RFdiffusion
TamGent
Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design