Scripts, tools, documentation and supporting libraries and files for building pre-compiled LAMMPS packages
☆22Jul 13, 2026Updated 2 months ago
Alternatives and similar repositories for lammps-packages
Users that are interested in lammps-packages are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.☆16Mar 6, 2026Updated 6 months ago
- The Molecular Dynamics teaching code.☆12Oct 17, 2025Updated 11 months ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 4 years ago
- ☆19Oct 24, 2018Updated 7 years ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Course materials for NANO 106 - Crystallography of Materials☆36Feb 19, 2026Updated 7 months ago
- A conda-smithy repository for lammps.☆10Aug 9, 2026Updated last month
- ☆12Dec 19, 2016Updated 9 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 6 years ago
- ☆18Jun 19, 2019Updated 7 years ago
- A 100-line Matlab code for phonon transport in 1D atomic chain using the NEGF method☆14Nov 5, 2018Updated 7 years ago
- MPI parallelization for PySCF☆37Nov 1, 2024Updated last year
- This is the older version of our Python Package Development Workshop - Please see our updated materials -☆15May 21, 2020Updated 6 years ago
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 5 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Information for the Intro to Cluster System Administration for Non-Sysadmins class☆10Dec 12, 2021Updated 4 years ago
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Apr 9, 2021Updated 5 years ago
- ☆10Jul 27, 2026Updated last month
- ☆14Jul 13, 2022Updated 4 years ago
- Convert NumPy-styled Python docstring to Markdown.☆13Jan 11, 2016Updated 10 years ago
- Open Source Exascale Quantum Chemistry Software☆34Updated this week
- Next-generation Tapis CLI☆14Apr 13, 2026Updated 5 months ago
- ☆22Jul 23, 2026Updated last month
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆23Nov 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.
- Official mirror of Quantum ESPRESSO☆48Jan 27, 2018Updated 8 years ago
- Pocket Survival Guide for Sys Admin - http://psg.skinforum.org/ -☆15Sep 12, 2026Updated last week
- ☆12Jul 8, 2026Updated 2 months ago
- Machine Learning Tutorials & Fundamentals☆21Jul 6, 2019Updated 7 years ago
- A remote registry for Singularity Registry HPC 🖊️☆16Updated this week
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- primary knock-on atom (PKA) spectrum evaluator☆26Aug 11, 2026Updated last month
- Various scripts for quantum chemistry (mainly ORCA)☆15Feb 6, 2025Updated last year
- Enables HPC Environment in an OpenStack Cloud☆11Jan 12, 2018Updated 8 years ago
- 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.
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- Repository for Chemical Perception Sampling Tools☆24Aug 13, 2024Updated 2 years ago
- A community driven catalog of tools and products that are useful in the world of high performance computing (HPC)☆11Jul 3, 2025Updated last year
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 7 years ago
- Example input for the Wales Group code☆11Oct 20, 2024Updated last year
- kmc simulation of vacancy-dumbbell transition for BCC lattice.☆14Aug 20, 2025Updated last year
- This is a mirror, please report bugs to☆15Updated this week