☆17Feb 3, 2025Updated last year
Alternatives and similar repositories for chemmatch
Users that are interested in chemmatch are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆25Aug 4, 2026Updated 2 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆37Nov 10, 2024Updated last year
- The largest KG for material science☆33Aug 14, 2026Updated last month
- ☆14Oct 9, 2024Updated 2 years ago
- ☆13Feb 1, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 4 years ago
- Official Code for What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks (In NeurIPS 2023)☆176Jul 26, 2024Updated 2 years ago
- A web application to unlock primary biodiversity data from published literature☆13Mar 3, 2020Updated 6 years ago
- Reinforcement Learning for Improving Chemical Reaction Performance☆14Aug 26, 2025Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆42Jun 6, 2025Updated last year
- Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524…☆10Apr 24, 2022Updated 4 years ago
- ☆14May 15, 2024Updated 2 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆11Jun 6, 2022Updated 4 years ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆13May 5, 2025Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- An advanced research assistant that utilizes AI agents to generate novel research directions and analyze scientific literature. This plat…☆16Feb 26, 2025Updated last year
- Benchmark of crystal structure prediction algorithms☆16Jun 9, 2025Updated last year
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 3 years ago
- Plots for "Machine-learned and codified synthesis parameters of oxide materials" in the journal Scientific Data☆14Jul 6, 2017Updated 9 years ago
- DAFSA-based dictionary-like read-only objects for Python. Based on `dawgdic` C++ library. Fork of https://github.com/pytries/DAWG☆16Aug 1, 2026Updated 2 months ago
- OpenSpeedy mac版☆19Jul 31, 2025Updated last year
- ☆18Sep 12, 2023Updated 3 years ago
- Deep learning tools for peptide substrate prediction and generation☆46Jul 24, 2026Updated 2 months ago
- ☆18Oct 25, 2022Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- MCP server that connects Claude Code to a live PyMOL session over XML-RPC☆65Sep 2, 2026Updated last month
- A Comprehensive Topological Complexity Indicator for Small Molecules☆18Sep 14, 2024Updated 2 years ago
- Semi-supervised learning code + CAVD + BVSE + QE-NEB for identifying prospective ion conductors☆15Sep 24, 2022Updated 4 years ago
- ☆56Apr 22, 2026Updated 5 months ago
- InvDesFlow for the inverse design of high-temperature superconducting materials, integrating generative models, stability models, superco…☆21Apr 8, 2026Updated 6 months ago
- A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.☆23May 8, 2023Updated 3 years ago
- ☆19May 30, 2019Updated 7 years ago
- [Cell Reports Physical Science] Open-sourced dialogue foundation model for Chemistry and molecule science☆110May 6, 2025Updated last year
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- The official GitHub repository for the Nature Communications paper "Computational Design of Generalist Cyclopropanases with Stereodiverge…☆16Jan 23, 2026Updated 8 months ago
- Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".☆18Nov 7, 2024Updated last year
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆20Oct 23, 2025Updated 11 months ago
- IvoryOS – Auto-abstraction & runtime for self-driving labs. Turns Python scripts into a visual workflow builder, execution engine, and op…☆22Updated this week
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆21Dec 4, 2025Updated 10 months ago
- ☆22Oct 3, 2026Updated last week
- Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules using Convolutional Neural Networks☆15Sep 2, 2024Updated 2 years ago