MasterLegend / PyMLLinks
Python and Machine Learning Course
☆78Updated 2 years ago
Alternatives and similar repositories for PyML
Users that are interested in PyML are comparing it to the libraries listed below
Sorting:
- ☆122Updated 6 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆123Updated this week
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆155Updated 2 years ago
- Useful scripts for VASP☆191Updated 3 years ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- Public repo for Materials API documentation☆142Updated 2 years ago
- A Python package for manipulating atomistic data of software in computational science☆215Updated last week
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- A toolkit featured artificial intelligence × ab initio for computational chemistry research.☆72Updated this week
- CPU version of NEP☆72Updated 3 months ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆19Updated 3 years ago
- Solvation model for the plane wave DFT code VASP.☆157Updated last year
- ASE interface for fully constant potential with VASP☆35Updated 10 months ago
- Tool to build force field input files for molecular simulation☆175Updated 5 months ago
- ☆58Updated 3 months ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆23Updated last month
- cp2k postprocessing tools☆68Updated 2 months ago
- ☆109Updated 2 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆55Updated 6 years ago
- ☆14Updated 3 weeks ago
- ☆42Updated 7 years ago
- 新生入学培训资料☆19Updated 2 years ago
- Computational tools for simulation of high-entropy alloy surfaces☆15Updated last month
- ☆59Updated last year
- Some scripts for gpumd and nep☆41Updated last week
- The Bond valence site energy calculator☆14Updated 3 months ago
- A python interface of NEP☆57Updated 8 months ago
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆122Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 9 months ago
- Analyze correlations in lithium-ion diffusion trajectories☆11Updated last year