YahaoDing

yolov5

YOLOv5 🚀 in PyTorch > ONNX > CoreML > TFLite

Mole-BERT

[ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"

chemgrapher-self-rich-labeling

denoising-diffusion-pytorch

Implementation of Denoising Diffusion Probabilistic Model in Pytorch

GraDe_IF

Graph Denoising Diffusion for Inverse Protein Folding(NeurIPS 2023)

CGCN

LigandMPNN

GraphSVX

Explanation method for Graph Neural Networks (GNNs)

protein-ligand-GNN

This repository contains the code for the work on protein-ligand interaction with GNNs and XAI

gvp-pytorch

Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure

k2

Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024

transformer

A TensorFlow Implementation of the Transformer: Attention Is All You Need

transformer

Transformer: PyTorch Implementation of "Attention Is All You Need"

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

DLKcat

Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction

ProteinMPNN

Code for the ProteinMPNN paper

RoseTTAFold

This package contains deep learning models and related scripts for RoseTTAFold

RFdiffusion

Code for running RFdiffusion

chroma

A generative model for programmable protein design

scBERT

transformers

🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

latent-diffusion

High-Resolution Image Synthesis with Latent Diffusion Models

neural-subgraph-learning-GNN

dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

text-to-text-transfer-transformer

Code for the paper "Exploring the Limits of Transfer Learning with a Unified Text-to-Text Transformer"

GLUE

Graph-linked unified embedding for single-cell multi-omics data integration

DockQ

DockQ is a single continuous quality measure for protein docked models based on the CAPRI evaluation protocol

intentgc-models

Research works on different versions of IntentGC and several state-of-the-art algorithms on public amazon data

deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications