PDEBench: An Extensive Benchmark for Scientific Machine Learning

Orca is the ADE for working with a fleet of parallel agents. Run any coding agent with your own subscription. Available on desktop, mobile and VPS.

Code for our paper "Graph Neural Network Bandits"

Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-free Inference ob Ab-Initio Potential Energy Surface Networks…

A curated, accuracy-first list of benchmarks for evaluating LLMs on scientific reasoning and discovery — math, physics, chemistry, materials, biology, and agentic science.

Beautiful, AI-native markdown IDE and LLM wiki

A curated list of awesome Physics Informed Neural Network, projects and communities.

Generate draw.io diagrams from natural language — 11 presets (UML, SysML/MBSE, BPMN, network, C4…), 36 tools: codebase/CI/infra-to-diagram, image→editable diagram, mind maps, build-up animation, ex…

Auto-bypass for blocked websites in Claude Code — Phase 0→3 adaptive scheduler, no API keys

Physics Informed Deep Learning: Data-driven Solutions and Discovery of Nonlinear Partial Differential Equations

🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/forum?id=SAT0KPA5UO

Cyclic-peptide - protein complexes benchmark and associated scripts and data

Listing of papers about machine learning for proteins.

Codes for our paper "Programming Biomolecular Interactions with All-Atom Generative Model"

VirtualFlow for Virtual Screening

Reinforcement learning based cyclic peptide binder design

OSS Legal AI Platform

BoltzGen: Toward Universal Binder Design

Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and relies on a tailored scalable transformer architecture.

A high-performance toolkit for atomistic simulations in JAX.

Repo for the Claude Code Marketplace to use with the Claude for Life Sciences Launch. This will continue to host the marketplace.json long-term, but not the actual MCP servers.

Browser Harness | Self-healing harness that enables LLMs to complete any task.

Garry's Opinionated OpenClaw/Hermes Agent Brain

Pose checks for 3D Structure-based Drug Design methods

Warp is an agentic development environment, born out of the terminal.