ChemClaw — The first chemistry-native AI agent skill library.
☆52Mar 31, 2026Updated 5 months ago
Alternatives and similar repositories for ChemClaw
Users that are interested in ChemClaw are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction☆51Jan 12, 2025Updated last year
- A pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy.☆34Aug 8, 2026Updated 3 weeks ago
- Chemia: Chemical Representation and Analysis using Neural and Ensemble models☆50Jun 9, 2026Updated 2 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 3 years ago
- MolClaw: An Autonomous Agent with Hierarchical Skills for Drug Molecule Evaluation, Screening, and Optimization☆32Aug 7, 2026Updated 3 weeks ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Light, Practical, memory-enabled AI orchestrator for science. Built on NanoClaw.☆30Mar 19, 2026Updated 5 months ago
- Official repo for PlanViz: Evaluating Planning-Oriented Image Generation and Editing for Computer-Use Tasks☆17Feb 17, 2026Updated 6 months ago
- MatClaw: an open materials-science agent that turns natural-language tasks into reproducible simulation workflows.☆89Apr 8, 2026Updated 4 months ago
- ☆32Updated this week
- This is the official code of the paper "MolNexTR: a generalized deep learning model for molecular image recognition"☆170Jan 15, 2026Updated 7 months ago
- ☆27Mar 20, 2026Updated 5 months ago
- Building MD simulations for polymer electrolyte system☆14Oct 6, 2025Updated 10 months ago
- AI for Chemical Spectra☆18Updated this week
- ☆23May 30, 2025Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆40Jul 17, 2026Updated last month
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆21Jan 2, 2026Updated 7 months ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR, IR and MS.☆35Updated this week
- Agent skills to run computational-chemistry tasks, used in OpenClaw☆132Updated this week
- ☆13Jul 22, 2024Updated 2 years ago
- This is the pipeline of our new article "Enzyme Co-Scientist: Harnessing Large Language Models for Enzyme Kinetic Data Extraction from Li…☆17May 23, 2025Updated last year
- Official Code of Paper: MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization☆17Apr 13, 2026Updated 4 months ago
- A feeble attempt at molecular recognition (in the literal sense)☆68Jul 9, 2026Updated last month
- ☆16Jul 4, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Mol-Opt: a toolbox for molecular design☆23Apr 15, 2024Updated 2 years ago
- ☆14Sep 7, 2023Updated 2 years ago
- Perl scripts to help out with material studio and CASTEP☆10Feb 18, 2015Updated 11 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆32Oct 17, 2023Updated 2 years ago
- A terminal user interface (TUI) application for navigating and viewing HDF5 files☆21Apr 12, 2026Updated 4 months ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆11Jun 6, 2022Updated 4 years ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 3 years ago
- [KDD 2026] Chem-R: Learning to Reason as a Chemist☆31Oct 19, 2025Updated 10 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Fine-tuning DeepSeek-OCR-2 for Optical Chemical Structure Recognition, including LoRA SFT, full SFT, customized GSPO and ReFT.☆20Jul 5, 2026Updated last month
- A Sequence Generation Model for Reaction Diagram Parsing☆118Sep 18, 2023Updated 2 years ago
- Official release of OneGenome-Rice models.☆26Jun 16, 2026Updated 2 months ago
- 基于osra的化学结构式识别工具☆22Apr 9, 2024Updated 2 years ago
- Introductory QMC teaching material for Python☆13Jun 8, 2016Updated 10 years ago
- IANN (InterAtomic Neural Network Framework) is an equivariant interatomic neural network potential framework package☆18Aug 13, 2026Updated 2 weeks ago
- Main Repository of SPONGE☆23Aug 24, 2026Updated last week