☆11Apr 16, 2021Updated 5 years ago
Alternatives and similar repositories for GAFF-foyer
Users that are interested in GAFF-foyer 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 lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 5 years ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆17Jul 19, 2022Updated 3 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆19Apr 27, 2026Updated last week
- A package for atom-typing as well as applying and disseminating forcefields☆141Apr 27, 2026Updated last week
- Conda recipes for Glotzer Lab software on HPC resources☆12Apr 8, 2026Updated last month
- 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.
- A hierarchical, component based molecule builder☆214Updated this week
- MoSDeF compatible wrapper for Cassandra Monte Carlo code☆14Nov 12, 2024Updated last year
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆18Mar 20, 2026Updated last month
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Apr 20, 2026Updated 2 weeks ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆54Nov 4, 2025Updated 6 months ago
- Flexible storage of chemical topology for molecular simulation☆70May 1, 2026Updated last week
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆20Apr 6, 2026Updated last month
- Building MD simulations for polymer electrolyte system☆13Oct 6, 2025Updated 7 months ago
- Quantum to Molecular Mechanics (Q2MM)☆25Apr 20, 2026Updated 2 weeks ago
- 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.
- LAMMPS configuration files☆13Jan 11, 2017Updated 9 years ago
- Systematic force field optimization.☆161Apr 22, 2026Updated 2 weeks ago
- VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectros…☆50Updated this week
- Python wrapper for packmol molecule packing program☆12Jan 4, 2016Updated 10 years ago
- CLI tools for Slurm clusters☆13Apr 24, 2026Updated 2 weeks ago
- Lectures for the SC3260 HPC course at Vanderbilt☆20May 5, 2020Updated 6 years ago
- NFDI Core Ontology☆19Apr 30, 2026Updated last week
- ☆81Dec 18, 2024Updated last year
- Suite of Python scripts for Perturbo testing and postprocessing☆17Oct 2, 2025Updated 7 months ago
- 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.
- Build coarse-grained mapping for molecules from a web-GUI☆18Sep 10, 2021Updated 4 years ago
- Convert Gaussian optimization output (.log) file to xyz or gjf file☆16Nov 30, 2017Updated 8 years ago
- A Python library for constructing polymer topologies and coordinates☆21Sep 23, 2025Updated 7 months ago
- Repository for 9th I-CoMSE virtual workshop for machine learning for molecules☆15May 3, 2025Updated last year
- Parameter/topology editor and molecular simulator☆451Apr 9, 2026Updated last month
- Conversion tool for molecular simulations☆225Jan 22, 2026Updated 3 months ago
- For advanced physics-driven combined with neural network enhancement force field.☆17Mar 9, 2026Updated 2 months ago
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC☆17Apr 30, 2026Updated last week
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Automated bonded parameters for Martini 3☆27Jul 20, 2025Updated 9 months ago
- A collection of tutorials for the python implementation of Dynamical Network Analysis☆15Aug 6, 2025Updated 9 months ago
- The future of Packmol☆42Mar 4, 2026Updated 2 months ago
- Design of experiments for Python☆60Feb 9, 2026Updated 3 months ago
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 4 years ago
- Tutorials about computational chemistry☆13Sep 22, 2024Updated last year
- ☆11Jul 18, 2022Updated 3 years ago