☆13Apr 12, 2022Updated 3 years ago
Alternatives and similar repositories for nvnmd
Users that are interested in nvnmd are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Continuous Action Space Tree search for INverse desiGn (CASTING)☆15Dec 8, 2023Updated 2 years ago
- Metadynamics code on the G-space.☆15Jan 14, 2026Updated 2 months ago
- ☆17May 12, 2025Updated 10 months ago
- MCP tools to connect LLMs and ABACUS jobs☆19Mar 13, 2026Updated 2 weeks ago
- A knowledge graph unifying computational and experimental data for MOFs☆44Nov 14, 2025Updated 4 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A heterogeneous OpenCL implementation of QuickVina2☆17Jan 7, 2023Updated 3 years ago
- 大数中医☆11Jul 10, 2024Updated last year
- ☆12Nov 7, 2022Updated 3 years ago
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆13Nov 6, 2012Updated 13 years ago
- Highly parallel molecular docking pipeline using Vina-GPU (dockerized) + AutoDock Vina CPU☆17Nov 19, 2024Updated last year
- Benchmarking of 1D pattern classification networks☆10Jul 19, 2023Updated 2 years ago
- An open project initiated by the DeepModeling community focused on constructing intelligent agents for scientific research. It is committ…☆38Jul 24, 2025Updated 8 months ago
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆30Apr 29, 2025Updated 10 months ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Tools for creating, analyzing and visualizing Conformation Space Networks☆17Aug 31, 2022Updated 3 years ago
- springboot+uploadifive+qiniuyun 写的一个图床网站,页面布局仿照SM.MS... [SpringBoot入门项目]☆10Jul 3, 2017Updated 8 years ago
- ☆13Dec 14, 2024Updated last year
- A collection of PyMOL plugins to visualize atomic bonds.☆22Sep 2, 2020Updated 5 years ago
- Fast all-atom protein structural search engine☆39Sep 5, 2022Updated 3 years ago
- ☆12Jun 26, 2023Updated 2 years ago
- Continual Resilient (CoRe) Optimizer for PyTorch☆12Jun 10, 2024Updated last year
- Common molecule fragments for visualization in Avogadro☆17Feb 6, 2026Updated last month
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Oct 3, 2022Updated 3 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.
- FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version☆28Nov 13, 2024Updated last year
- Suite for Analysis of Molecular Simulations☆11Updated this week
- ☆11Aug 30, 2020Updated 5 years ago
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- In this paper, we propose Filter Gradient Decent (FGD), an efficient stochastic optimization algorithm that makes a consistent estimation…☆12May 18, 2021Updated 4 years ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- Data relevant to the article "Machine learning determination of atomic dynamics at grain boundaries" https://arxiv.org/abs/1803.01416☆11Oct 2, 2018Updated 7 years ago
- ☆24Sep 26, 2022Updated 3 years ago
- Some demos using Nvidia RAPIDS for Cheminformatics☆13Aug 17, 2020Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- molekel☆10Nov 22, 2025Updated 4 months ago
- ☆12Jan 30, 2026Updated last month
- Program Package for Sampling, Training and Applying ML-based Potential models☆12Feb 25, 2026Updated last month
- ☆27Dec 8, 2022Updated 3 years ago
- ☆13Jan 4, 2024Updated 2 years ago
- an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)☆44Nov 3, 2022Updated 3 years ago
- ☆12Feb 28, 2020Updated 6 years ago