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code for "Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching"
Robot arm pick & place project with reinforcement learning
SGLang is a fast serving framework for large language models and vision language models.
Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)
Official repository for the Boltz biomolecular interaction models
A beautiful, simple, clean, and responsive Jekyll theme for academics
Production-ready platform for agentic workflow development.
End-To-End Molecular Dynamics (MD) Engine using PyTorch
This is repository of study and project for Generative Models in Drug Design.
A comprehensive library for computational molecular biology
Tensors and Dynamic neural networks in Python with strong GPU acceleration
A highly efficient implementation of Gaussian Processes in PyTorch
User-friendly AI Interface (Supports Ollama, OpenAI API, ...)
DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
Reduce - tool for adding and correcting hydrogens in PDB files
Python-based GUI to collect Feedback of Chemist in Molecules
⏩ Create, share, and use custom AI code assistants with our open-source IDE extensions and hub of models, rules, prompts, docs, and other building blocks
Build a Perplexity-Inspired Answer Engine Using Next.js, Groq, Llama-3, Langchain, OpenAI, Upstash, Brave & Serper
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Neural Network Force Field based on PyTorch
AIMET is a library that provides advanced quantization and compression techniques for trained neural network models.
Backend.AI is a streamlined, container-based computing cluster platform that hosts popular computing/ML frameworks and diverse programming languages, with pluggable heterogeneous accelerator suppor…
Public repository of the paper <Fine-tuning Pocket-conditioned 3D Molecule Generation via Reinforcment Learning>