☆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☆20Jun 10, 2026Updated last month
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆37Nov 10, 2024Updated last year
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated last year
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 3 years ago
- Official Code for What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks (In NeurIPS 2023)☆174Jul 26, 2024Updated 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.
- Truth-Conditional Captions for Time Series Data. EMNLP 2021. Harsh Jhamtani, Taylor Berg-Kirkpatrick☆14Feb 9, 2022Updated 4 years ago
- Reinforcement Learning for Improving Chemical Reaction Performance☆14Aug 26, 2025Updated 10 months ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆41Jun 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.☆10Jun 6, 2022Updated 4 years ago
- ☆15Apr 22, 2024Updated 2 years ago
- An advanced research assistant that utilizes AI agents to generate novel research directions and analyze scientific literature. This plat…☆16Feb 26, 2025Updated last year
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- OpenSpeedy mac版☆19Jul 31, 2025Updated 11 months ago
- ☆19Jan 25, 2026Updated 5 months ago
- DAFSA-based dictionary-like read-only objects for Python. Based on `dawgdic` C++ library. Fork of https://github.com/pytries/DAWG☆16Jul 1, 2026Updated 2 weeks ago
- ☆18Sep 12, 2023Updated 2 years ago
- ☆15Jul 29, 2025Updated 11 months ago
- ☆20Jul 3, 2024Updated 2 years ago
- Semi-supervised learning code + CAVD + BVSE + QE-NEB for identifying prospective ion conductors☆15Sep 24, 2022Updated 3 years ago
- InvDesFlow for the inverse design of high-temperature superconducting materials, integrating generative models, stability models, superco…☆19Apr 8, 2026Updated 3 months ago
- This is the code for reproducing the TABBIE baseline in our paper: "Retrieval-Based Transformer for Table Augmentation"☆12Sep 17, 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.
- 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
- ☆21Apr 15, 2025Updated last year
- ☆14Aug 30, 2023Updated 2 years ago
- Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".☆18Nov 7, 2024Updated last year
- UCAS网络登录☆13Nov 17, 2018Updated 7 years ago
- Data and Code for StructuredRegex.☆14Nov 16, 2023Updated 2 years ago
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆19Oct 23, 2025Updated 8 months ago
- A modular forecasting library for Irregular Multimodal Multivariate Time Series, accompanying the NeurIPS 2025 paper “Time-IMM: A Dataset…☆19Oct 15, 2025Updated 9 months 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.
- A physics-aware multi-agent LLM framework for accelerating the material science discovery and optimization☆22Feb 4, 2025Updated last year
- ☆14Jun 13, 2022Updated 4 years ago
- Open-Source Neural Machine Translation in PyTorch http://opennmt.net/☆17Jan 7, 2021Updated 5 years ago
- SongDriver uses a parallel mechanism of prediction and arrangement phases to achieve zero logical latency in real-time accompaniment gene…☆15Jan 5, 2026Updated 6 months ago
- ☆11May 9, 2023Updated 3 years ago
- IvoryOS – Auto-abstraction & runtime for self-driving labs. Turns Python scripts into a visual workflow builder, execution engine, and op…☆18Updated this week
- ☆21May 28, 2025Updated last year