shunsunsun

ColabFold

Making Protein folding accessible to all via Google Colab!

conformer-rl

A deep reinforcement learning library for conformer generation.

CVPR2021-Papers-with-Code-Demo

收集 CVPR 最新的成果，包括论文、代码和demo视频等，欢迎大家推荐！

DeepAAI

DeepAAI: A Novel Deep Learning Framework for Predicting Antigen-Antibody Interaction

mhn-react

Modern Hopfield Network (MHN) for template relevance prediction

MolReactGen

Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implementation of OpenAI's GPT-2 transformer decoder model

openai-cookbook

Examples and guides for using the OpenAI API

rl

A modular, primitive-first, python-first PyTorch library for Reinforcement Learning.

SMILES-MaskGAN

SWIT

shunsunsun/acegen-open

Language models for drug discovery using torchrl

shunsunsun/act-plus-plus

Imitation Learning algorithms with Co-traing for Mobile ALOHA: ACT, Diffusion Policy, VINN

shunsunsun/AI2BMD

AI-powered ab initio biomolecular dynamics simulation

shunsunsun/AlphaFold3

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

shunsunsun/alphafold3-new

AlphaFold 3 inference pipeline.

shunsunsun/awesome-AI4ProteinConformation-MD

List of protein conformations and molecular dynamics using generative artificial intelligence and deep learning

shunsunsun/awesome-BioMolFold

RNA, mRNA, DNA, Peptide, Protein, Antibody and Complex | Folding

shunsunsun/CGIP

A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning

shunsunsun/chai-lab

Chai-1, SOTA model for biomolecular structure prediction

shunsunsun/cvxportfolio

Portfolio optimization and back-testing.

shunsunsun/DiffDec

shunsunsun/DiffIUPAC

Diffusion-based generative drug-like molecular editing with chemical natural language

shunsunsun/evo

DNA foundation modeling from molecular to genome scale

shunsunsun/frp

A fast reverse proxy to help you expose a local server behind a NAT or firewall to the internet.

shunsunsun/GEAM

Official code repository for the paper Drug Discovery with Dynamic Goal-aware Fragments (ICML 2024)

shunsunsun/GeneTrajectory

R implementation of GeneTrajectory

shunsunsun/GeneTrajectory-python

Python implementation of Gene Trajectory

shunsunsun/iupacGPT

IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation

shunsunsun/materials_discovery

shunsunsun/OpenSource-LLMs-better-than-OpenAI

Listing all reported open-source LLMs achieving a higher score than proprietary, paying OpenAI models (ChatGPT, GPT-4).

shunsunsun/PCMol

Multi-target de novo molecular generator conditioned on AlphaFold latent embeddings

shunsunsun/plumed2

Development version of plumed 2

shunsunsun/plumedmjs.github.io

PLUMED website

shunsunsun/PMDM

shunsunsun/PocketFlow

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

shunsunsun/PromptSMILES

Scaffold decoration and fragment linking with chemical language models and RL

shunsunsun/scNODE

scNODE: Generative Model for Temporal Single Cell Transcriptomic Data Prediction

shunsunsun/SpatialPPI

shunsunsun/UTR-LM

shunsunsun/VisionProTeleop

VisionOS App + Python Library to stream head / wrist / finger tracking data from Vision Pro to any robots.