The official implementation of MARS: Unleashing the Power of Variance Reduction for Training Large Models

Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"

Extrapolating knowledge graphs from unstructured text using GPT-3 🕵️‍♂️

This is the official code release for Bayesian Flow Networks.

Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation

Official PyTorch implementation of "Denoising MCMC for Accelerating Diffusion-Based Generative Models", ICML 2023 Oral Paper

High-quality single file implementation of Deep Reinforcement Learning algorithms with research-friendly features (PPO, DQN, C51, DDPG, TD3, SAC, PPG)

Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)

A Unified Python Library for Graph Prompting

Welcome to the Physics-based Deep Learning Book (v0.2)

C++-based high-performance parallel environment execution engine (vectorized env) for general RL environments.

Data and models (with prediction scripts) used in publications related to Apollo1060 platform

Generative Flow Networks

Code for our TMLR paper "Distributional GFlowNets with Quantile Flows".

A python module to scrape arxiv.org for a date range and category

The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)

MedicalGPT: Training Your Own Medical GPT Model with ChatGPT Training Pipeline. 训练医疗大模型，实现了包括增量预训练(PT)、有监督微调(SFT)、RLHF、DPO、ORPO。

An elegant PyTorch deep reinforcement learning library.

An educational resource to help anyone learn deep reinforcement learning.

An open-source tool-augmented conversational language model from Fudan University

Official Implementation for the ICML2022 paper "Directed Acyclic Transformer for Non-Autoregressive Machine Translation"

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

Use ChatGPT On Wechat via wechaty

OOD Dataset Curator and Benchmark for AI-aided Drug Discovery

Interaction Fingerprints for protein-ligand complexes and more