Data, in citable form, produced by the Coudert research group
☆47Oct 21, 2026Updated last week
Alternatives and similar repositories for citable-data
Users that are interested in citable-data are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆34Sep 22, 2026Updated last month
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- ☆52Jun 15, 2020Updated 6 years ago
- ☆16Dec 24, 2025Updated 10 months ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆18Feb 21, 2024Updated 2 years ago
- Classical molecular simulation code☆182Jul 13, 2024Updated 2 years ago
- materials for CCP5 summer school☆17Jul 22, 2026Updated 3 months ago
- A general forcefield for phonon properties of metal-organic frameworks☆13Sep 13, 2020Updated 6 years ago
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆24Updated this week
- iRASPA for macOS☆12Sep 17, 2026Updated last month
- On-the-fly calculation of Transport Properties☆31Sep 7, 2026Updated last month
- Computational Chemistry☆20Dec 9, 2019Updated 6 years ago
- A julia package for the manipulation of crystal net representations and topology☆57Oct 6, 2026Updated 3 weeks 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.
- Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.☆72Aug 28, 2026Updated 2 months ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆39May 8, 2023Updated 3 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using MPI pa…☆11Jun 16, 2021Updated 5 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Aug 5, 2026Updated 2 months ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆16Updated this week
- Python library for generation of MOFs, COFs, Zeolites...☆43Sep 2, 2026Updated last month
- Automatic Topological Generator for Framework Structures☆20Mar 20, 2018Updated 8 years ago
- Computes the Henry coefficient of methane in IRMOF-1☆10Oct 5, 2021Updated 5 years ago
- Ideal Adsorbed Solution Theory☆66Jul 11, 2021Updated 5 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.
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆48Nov 12, 2021Updated 4 years ago
- Read journal RSS feeds and tweet selected entries☆61Sep 24, 2026Updated last month
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆27Oct 19, 2022Updated 4 years ago
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆14Nov 6, 2012Updated 13 years ago
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 5 years ago
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆22Updated this week
- A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum☆17Jan 28, 2026Updated 9 months ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆171May 24, 2023Updated 3 years ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆26Mar 22, 2026Updated 7 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.
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated 2 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆14Oct 27, 2015Updated 11 years ago
- A code to compute the radial distribution function☆21Feb 22, 2019Updated 7 years ago
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆21Sep 17, 2026Updated last month
- atomes: codeblocks dev files☆16Oct 13, 2026Updated 2 weeks ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Oct 23, 2015Updated 11 years ago
- A complete software environment for modeling and simulating materials, tailored for a MOF chemist☆53Updated this week