Molecular / atomic coordinate editor
☆11May 21, 2023Updated 2 years ago
Alternatives and similar repositories for aten
Users that are interested in aten are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆18Apr 13, 2026Updated last month
- A Julia package for fitting the equation of state of solids, and more☆16Apr 29, 2026Updated 2 weeks ago
- python wrappers for generating training files for the ReaxFF code☆24Apr 10, 2014Updated 12 years ago
- ☆19Oct 24, 2018Updated 7 years ago
- Databases and Interoperability in Quantum Chemistry☆13Feb 15, 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.
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Jan 27, 2022Updated 4 years ago
- Pulls all geometry information from cccbdb.nist.gov for the specified chemical formula☆10Aug 6, 2017Updated 8 years ago
- Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)☆11Apr 11, 2024Updated 2 years ago
- A unified platform for theoretical and computational chemists☆18Feb 7, 2026Updated 3 months ago
- Assets for the 2017 Materials Project workshop☆22Nov 27, 2017Updated 8 years ago
- Junction-tree variational auto-encoder for Python 3 (https://arxiv.org/abs/1802.04364)☆12Apr 7, 2021Updated 5 years ago
- Repository for proposed and ongoing enhancements to Cantera☆12Mar 27, 2023Updated 3 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 11 years ago
- Some dockerfiles for deep learning☆19Feb 19, 2018Updated 8 years ago
- 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.
- vCard Import and Export for The Insidious Big Brother Database (BBDB)☆21Apr 21, 2010Updated 16 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Dec 28, 2022Updated 3 years ago
- ☆33Jan 8, 2025Updated last year
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆55May 7, 2026Updated last week
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- Python and Fortran Numerical Implementations of the Polya Enumeration Theorem☆13Nov 9, 2016Updated 9 years ago
- Hands-on Artificial Intelligence with TensorFlow, published by Packt☆16Jan 14, 2021Updated 5 years ago
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Oct 31, 2024Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- An openai wrapper for Common Lisp☆14Aug 12, 2024Updated last year
- Python3 script to create Voronoi tessellations (mosaic pattern) on images☆10May 25, 2019Updated 6 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- newLISP programming...☆10Sep 25, 2015Updated 10 years ago
- 3D molecular structure generation for MD simulation☆10May 7, 2026Updated last week
- A python interface for the GROMACS molecular simulation package.☆24Jun 4, 2012Updated 13 years ago
- Utilities for ab initio modeling suite CRYSTAL, developed in Turin University☆11Aug 28, 2025Updated 8 months ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆25Jan 4, 2026Updated 4 months 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.
- Generate isosurface from density data☆14Mar 7, 2026Updated 2 months ago
- Monte Carlo and Molecular Dynamics Simulation Package☆95Jul 20, 2024Updated last year
- A folding-editor-like minor mode☆21Jan 20, 2025Updated last year
- Image processing DSL implemented in C-Mera☆10Dec 12, 2016Updated 9 years ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14May 2, 2026Updated 2 weeks ago
- Python-Application-Development-Tips-Tricks-and-Techniques [Video]☆13Jan 14, 2021Updated 5 years ago
- A Game of Life written in Purescript using Rx and React/canvas/console UIs.☆10Dec 9, 2016Updated 9 years ago