Heisenburger2020

PaLM-rlhf-pytorch

Implementation of RLHF (Reinforcement Learning with Human Feedback) on top of the PaLM architecture. Basically ChatGPT but with PaLM

graph-based-deep-learning-literature

links to conference publications in graph-based deep learning

pytorch-lightning-template

An easy/swift-to-adapt PyTorch-Lighting template. 套壳模板，简单易用，稍改原来Pytorch代码，即可适配Lightning。You can translate your previous Pytorch code much easier using this template, and keep your freedom to edit all the functions as well. Big-project-friendly as well. No need to rewrite your config in hydra.

RecSysPapers

推荐/广告/搜索领域工业界经典以及最前沿论文集合。A collection of industry classics and cutting-edge papers in the field of recommendation/advertising/search.

pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

chai-lab

Chai-1, SOTA model for biomolecular structure prediction

graphein

Protein Graph Library

mar

PyTorch implementation of MAR+DiffLoss https://arxiv.org/abs/2406.11838

AlphaFold3

Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch

ncsn

Noise Conditional Score Networks (NeurIPS 2019, Oral)

biotite

A comprehensive library for computational molecular biology

LaVIT

LaVIT: Empower the Large Language Model to Understand and Generate Visual Content

DiGress

code for the paper "DiGress: Discrete Denoising diffusion for graph generation"

Graph-Learning-Reading-List

Advances on machine learning of graphs, covering the reading list of recent top academic conferences.

plinder

Protein Ligand INteraction Dataset and Evaluation Resource

xrayutilities

xrayutilities - a package with useful scripts for X-ray diffraction physicists

Image-Text-Matching-Summary

Summary of Related Research on Image-Text Matching

Dans_Diffraction

Reads crystallographic cif files and simulates diffraction

CrystalFormer

Space Group Informed Transformer for Crystalline Materials Generation

ProteomicsEducation

LeaPRR

Learnable Pillar-based Re-ranking for Image-Text Retrieval. SIGIR'23

PhAI

FinalCif

A CIF file finalizer for small molecule crystallography with as much automation as possible.

ARTINA

MGA-CLAP

official implementation of MGA-CLAP (ACM MM 2024)

density-fitness

Application to calculate the density statistics (RSR, SRSR, RSCCS, EDIAm and OPIA) for x-ray structures

pIon

CrysFormer

awesome-self-supervised-gnn

Papers about pretraining and self-supervised learning on Graph Neural Networks (GNN).

patterson_map