MarsalekGroup / amlLinks
A... M... L...
☆50Updated 3 years ago
Alternatives and similar repositories for aml
Users that are interested in aml are comparing it to the libraries listed below
Sorting:
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- ☆67Updated 2 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆64Updated 11 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆49Updated 3 years ago
- Code for automated fitting of machine learned interatomic potentials.☆86Updated this week
- ☆60Updated 7 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 5 months ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 4 months ago
- ☆89Updated 8 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆65Updated last month
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆54Updated last month
- ☆88Updated last week
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆39Updated 3 weeks ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A Python software package for saddle point optimization and minimization of atomic systems.☆111Updated 9 months ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 8 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…