vincefn / objcrystLinks
Free Objects for Crystallography : Fox / ObjCryst++
☆25Updated 6 months ago
Alternatives and similar repositories for objcryst
Users that are interested in objcryst are comparing it to the libraries listed below
Sorting:
- Debye's scattering equation & other analysis of atomistic models.☆59Updated last month
- Atomistic Manipulation Toolkit☆94Updated 6 months ago
- Specification of a common REST API for access to materials databases☆100Updated last month
- Python Cp2k interface☆100Updated 3 years ago
- A simulation package of phonon-phonon interaction related properties☆155Updated 2 weeks ago
- Python package to aid materials design and informatics☆128Updated last week
- Software for generating machine-learning interatomic potentials for LAMMPS☆182Updated 3 months ago
- Atomic interaction potentials based on artificial neural networks☆126Updated last month
- A suite of computational materials science tools.☆142Updated last year
- Materials science with Python at the atomic-scale☆229Updated last week
- NO LONGER UPDATED. Use the official repository.☆88Updated 5 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆114Updated last year
- LAMMPS tutorials for both beginners and advanced users☆134Updated 4 months ago
- This is a simple script to plot energy profile diagrams using Python and matplotlib.☆179Updated 6 months ago
- ASE density-functional tight-binding calculator☆68Updated last year
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆190Updated this week
- Interatomic potential creating using DFT training data.☆27Updated 6 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- General purpose tools for high-throughput catalysis☆102Updated 8 months ago
- Constant potential method in LAMMPS☆52Updated 2 years ago
- Open-source library for analyzing the results produced by ABINIT☆135Updated 3 weeks ago
- A simple, robust and flexible just-in-time job management framework in Python.☆171Updated last week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆206Updated last month
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆50Updated 3 months ago
- ☆102Updated 4 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆105Updated last year
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆109Updated 3 years ago
- ☆112Updated 3 years ago
- ☆36Updated 3 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago