Adaptive Parallel PDF Parsing and Resource Scaling Engine

ChemPile project

ChemNLP project

An Atomically Complete Tokenizer for Molecular Foundation Models

Protein Ligand INteraction Dataset and Evaluation Resource

Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations

Official Repo of "Code2MCP: Transforming Code Repositories into MCP Services", Scaling Environments for Agents Workshop @ NeurIPS 2025

Academy tutorial

Build and deploy stateful agents across federated resources

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake, Bolz, et al. (2025), https://doi.org/10.1093/nar/gkaf361

Calculation of interatomic interactions in molecular structures

Torch-native, batchable, atomistic simulations.

A RAG+MCP tool server for Galaxy Toolshed.

Official repository for the Boltz biomolecular interaction models

Science MCP Servers: Globus, Compute Facilities, Diaspora, and More

Biomni: a general-purpose biomedical AI agent

A collection of MCP servers.

A collection of MCP clients.

The official Python SDK for Model Context Protocol servers and clients

[NeurIPS2025] "AI-Researcher: Autonomous Scientific Innovation" -- A production-ready version: https://novix.science/chat

GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics

A scientific reasoning model, dataset, and reward functions for chemistry.

Facebook AI Research Sequence-to-Sequence Toolkit written in Python.

Python Suite for Advanced General Ensemble Simulations