It's a package for evaluation of predicted poses, right?

Apprise - Push Notifications that work with just about every platform!

A GFlowNet with a chemical synthesis action space.

Model Context Protocol (MCP) server designed to allow AI agents within Cursor to interact with Jupyter Notebook (.ipynb) files

A comprehensive macromolecular library

Powerful system-level package manager for Linux, macOS and Windows written in Rust – building on top of the Conda ecosystem.

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

Python logging made (stupidly) simple

A simple but powerful VSCode extension for visualizing protein structures using the Molstar framework.

[NeurIPS 2025 spotlight] Efficient factorized variant of the IPA module.

Rust crate providing cross-platform information about the notebook batteries.

Profluent-E1 family of Protein Encoder Models

Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets

Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)

A lightweight, fast pocket finder in Python.

A comprehensive library for computational molecular biology

A generalized computational framework for biomolecular modeling.

Ginkgo Antibody Developability 2025 Competition Repo

A model-context-protocol server for molecules.

bioinformatics tools running on modal

Software for aligning viewing and editing dna/aminoacid sequences, intuitive, fast and lightweight. Download and website:

p-IgGen: A Generative Paired Antibody Language Model

Causal Differential Networks (ICML 2025)

Sidechain conditioning and modeling for full-atom protein sequence design

Molecule to Genetic Sensor Report

Benchmark for Biophysical Sequence Optimization Algorithms

Ever used asyncio and wished you hadn't? A tiny (~400 lines) event loop for Python.