pincher-chen

2019-nCoV

A comprehensive key drug targets analysis for 2019-nCoV main protease 。

3DStructGen

3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.

DiffCSP-SC

[NeurIPS 2024] The implementation for the paper "Learning Superconductivity from Ordered and Disordered Material Structures"

HHVSF

A Framework for Accelerating High-throughput Virtual Drug Screening on High-Performance Computers.

Matgen-toolkit

MOFKit

A script for processing MOF structures.

Protocol_VS

A protocol for drug virtual screening.

SODNet

[NeurIPS 2024] The implementation for the paper "Learning Superconductivity from Ordered and Disordered Material Structures"

software_install

softwares install guide in tianhe-2 supercomputer

TH-Material

Material development platform based on Tianhe-2 supercomputer

pincher-chen/DiffCSP-SC

[NeurIPS 2024] The implementation for the paper "Learning Superconductivity from Ordered and Disordered Material Structures"

pincher-chen/SODNet

[NeurIPS 2024] The implementation for the paper "Learning Superconductivity from Ordered and Disordered Material Structures"

pincher-chen/AgentGPT

🤖 Assemble, configure, and deploy autonomous AI Agents in your browser.

pincher-chen/Book5_Essentials-of-Probability-and-Statistics

Book_5_《统计至简》 | 鸢尾花书：从加减乘除到机器学习；上架！

pincher-chen/BSGNN

pincher-chen/byteqc

pincher-chen/charge3net

Higher-order equivariant neural networks for charge density prediction in materials

pincher-chen/ChatMOF

Predict and Inverse design for metal-organic framework with large-language models (llms)

pincher-chen/ChatMOF-online

Online platform for ChatMOF

pincher-chen/DFTflow

An automated workflow for performing high throughput computatations on Tian-he2 supercomputer.

pincher-chen/DiffCSP

[NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"

pincher-chen/DiffCSP-P

pincher-chen/ECDBench

A Machine Learning Benchmark for Predicting Enhanced-Precision Electronic Charge Density in Crystalline Inorganic Materials

pincher-chen/EquiCSP

Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)

pincher-chen/HN-GFN

Official implementation of NeurIPS'23 paper "Sample-efficient Multi-objective Molecular Optimization with GFlowNets"

pincher-chen/jdftx

JDFTx: software for joint density functional theory

pincher-chen/llamp

A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai

pincher-chen/localGPT

Chat with your documents on your local device using GPT models. No data leaves your device and 100% private.

pincher-chen/ML-DFT

Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.

pincher-chen/NLP4MatSci-HoneyBee

This repository contains the implementation for our EMNLP 2023 paper: HoneyBee: Progressive Instruction Finetuning of Large Language Models for Materials Science

pincher-chen/NOS

Protein Design with Guided Discrete Diffusion

pincher-chen/OLMo

Modeling, training, eval, and inference code for OLMo

pincher-chen/open-interpreter

OpenAI's Code Interpreter in your terminal, running locally

pincher-chen/Open-Sora

Open-Sora: Democratizing Efficient Video Production for All

pincher-chen/pai

pai: A Python REPL with a built in AI agent

pincher-chen/QAnything

Question and Answer based on Anything.

pincher-chen/scdp

[NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"

pincher-chen/speech-to-speech

Speech To Speech: an effort for an open-sourced and modular GPT4-o

pincher-chen/v2ray-linux-64

pincher-chen/WorkflowLLM

An open platform for enhancing the capability of LLMs in workflow orchestration.