jlopez141 / pyCSHLinks
pyCSH: automated generation of realistic bulk calcium silicate hydrate (C-S-H) structures.
☆12Updated last year
Alternatives and similar repositories for pyCSH
Users that are interested in pyCSH are comparing it to the libraries listed below
Sorting:
- Software for generating machine-learning interatomic potentials for LAMMPS☆182Updated 3 months ago
- LAMMPS input from lammpstutorials.github.io☆58Updated 4 months ago
- Classical molecular simulation code☆159Updated last year
- A grain boundary generation code☆80Updated 2 years ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆311Updated 2 months ago
- Tool to build force field input files for molecular simulation☆187Updated last month
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated 2 years ago
- LAMMPS tutorials for both beginners and advanced users☆134Updated 4 months ago
- A Python package for manipulating atomistic data of software in computational science☆243Updated this week
- ☆112Updated 3 years ago
- n2p2 - A Neural Network Potential Package☆241Updated 10 months ago
- MACE foundation models (MP, OMAT, mh-1)☆197Updated 2 months ago
- LAMMPS inputs and data files☆292Updated last year
- Gromacs to Lammps simulation converter☆90Updated 2 years ago
- A code to generate atomic structure with symmetry☆356Updated last week
- ☆117Updated 5 months ago
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆163Updated 2 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆24Updated 7 months ago
- LAMMPS tutorials for Beginners☆435Updated 2 years ago
- cp2k postprocessing tools☆76Updated last month
- Materials science with Python at the atomic-scale☆229Updated last week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆132Updated last week
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- The Materials Project Workshop Curriculum☆117Updated 2 years ago
- ☆69Updated 4 years ago
- An open-source Python package for creating fast and accurate interatomic potentials.☆340Updated this week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆239Updated this week
- Universal Transfer Learning in Porous Materials, including MOFs.☆115Updated last year