A conda-smithy repository for lammps.
☆10Jun 12, 2026Updated 3 weeks ago
Alternatives and similar repositories for lammps-feedstock
Users that are interested in lammps-feedstock are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.☆16Mar 6, 2026Updated 4 months ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- MOPAC wrapper providing the PM6-ML correction☆22Mar 23, 2026Updated 3 months ago
- Monte Carlo Simulation of Light-Tissue Interaction☆18Sep 26, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Tools for implementing and consuming OPTIMADE APIs in Python☆90Updated this week
- Benchmark data for density-functional theory method development.☆19May 22, 2026Updated last month
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆53Oct 22, 2023Updated 2 years ago
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆11Sep 23, 2024Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44May 28, 2026Updated last month
- A simple python/numpy script for calculating successive Brillouin zones of lattices.☆10Nov 20, 2016Updated 9 years ago
- A list of academic publishers and their scholarly journals.☆17Sep 15, 2022Updated 3 years ago
- Python package for matrix storage and operations on hetnets☆14Mar 30, 2023Updated 3 years ago
- Next-generation Tapis CLI☆14Apr 13, 2026Updated 2 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆11Mar 29, 2026Updated 3 months ago
- RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine☆27May 11, 2026Updated last month
- Format your bibtex (.bib) file to help standardize citations for conference and journal submissions☆14Nov 23, 2025Updated 7 months ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆40May 28, 2026Updated last month
- 臸娥粂陆亩竟☆10May 11, 2024Updated 2 years ago
- Atomistic Manipulation Toolkit☆36Jun 26, 2026Updated last week
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆85Jun 23, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 3 years ago
- ☆29Dec 1, 2020Updated 5 years ago
- Scripts, tools, documentation and supporting libraries and files for building pre-compiled LAMMPS packages☆22Apr 10, 2026Updated 2 months ago
- interacting Dynamic Electrons Approach☆31Apr 3, 2026Updated 3 months ago
- Convert NumPy-styled Python docstring to Markdown.☆13Jan 11, 2016Updated 10 years ago
- k-Bags Convolutional Neural Network☆11Jun 8, 2025Updated last year
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".☆17Nov 7, 2024Updated last year
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 5 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.
- Open Orbital Optimizer☆35Jun 29, 2026Updated last week
- The 2048 game implemented in sed☆106Dec 10, 2019Updated 6 years ago
- Vortex finder for time-dependent Ginzburg-Landau superconductor simulation data☆11Oct 20, 2020Updated 5 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 5 months ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 10 months ago
- 腾讯微博导出工具，无需登录。☆15Sep 7, 2020Updated 5 years ago