Closed knc6 closed 2 years ago
Kamal Choudhary
kamal.choudhary@nist.gov
https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks
JARVIS-Tools-notebooks Link
A Google-Colab Notebook Collection for Materials Design
Example
JARVIS
No response
89 elements from the periodic table
All
DFT, FF, ML
JSON, CSV
Sklearn, PyTorch, Tensorflow, LightGBM, Wannier90, GPAW, LAMMPS, VASP, Quantum espresso, JARVIS-Tools
I just saw you have already included some of them in the REMI website: https://pages.nist.gov/remi/
Your Name
Kamal Choudhary
Your Email
kamal.choudhary@nist.gov
Website for notebook
https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks
Description
JARVIS-Tools-notebooks Link
A Google-Colab Notebook Collection for Materials Design
Type
Example
Collection - Does this notebook belong to an institutional collection?
JARVIS
If other
No response
Material systems under investigation.
89 elements from the periodic table
Symmetry classes investigated.
All
Material classes
All
Measurement methods
DFT, FF, ML
Functional or structural properties investigated. Please list properties separated by comma.
No response
Platforms used e.g. NanoHub, MaterialsProject, JARVIS, etc.
JARVIS
File formats used
JSON, CSV
Software libraries used
Sklearn, PyTorch, Tensorflow, LightGBM, Wannier90, GPAW, LAMMPS, VASP, Quantum espresso, JARVIS-Tools
Preprocessing methods used
No response
Dimension reduction methods used
No response
Supervised learning methods used
No response
Unsupervised learning methods used
No response
Active learning methods used
No response