Name | Version | Summary | date |
composites |
0.7.0 |
Methods to calculate properties of laminated composite materials |
2024-03-15 13:38:18 |
pylattica |
0.1.3 |
pylattica is a package for fast prototyping of lattice models for chemistry and materials science |
2024-03-13 18:40:32 |
nonrad |
1.2.0 |
Implementation for computing nonradiative recombination rates in semiconductors |
2024-03-11 23:52:35 |
materials-commons-cli |
2.1b1 |
Materials Commons CLI |
2024-03-08 18:12:24 |
kgcnn |
4.0.1 |
General Base Layers for Graph Convolutions with Keras |
2024-02-27 12:33:31 |
reaction-network |
8.2.1 |
Reaction-network is a Python package for synthesis planning and predicting chemical reaction pathways in inorganic materials synthesis. |
2024-02-07 20:07:43 |
pychemia |
0.24.2.3 |
Python Framework for Materials Discovery and Design |
2024-02-04 15:51:37 |
matgl |
0.9.2 |
MatGL is a framework for graph deep learning for materials science. |
2024-01-26 21:04:48 |
openmsistream |
1.7.9 |
Python applications for materials data streaming using Apache Kafka. Developed for Open MSI (NSF DMREF award #1921959) |
2024-01-09 21:32:30 |
openmsitoolbox |
1.2.3 |
Python utilities for OpenMSI projects Developed for Open MSI (NSF DMREF award #1921959) |
2024-01-09 19:18:23 |
matcalc |
0.0.4 |
Calculators for materials properties from the potential energy surface. |
2024-01-01 18:51:11 |
scann-model |
1.0 |
SCANN - Self-Consistent Atention-based Neural Network |
2023-12-17 16:30:48 |
cratepy |
1.0.5 |
CRATE: Clustering-based Nonlinear Analysis of Materials |
2023-11-15 22:19:54 |
magentropy |
0.1.6 |
Perform magnetoentropic mapping of magnetic materials based on DC magnetization data. |
2023-11-15 09:51:15 |
qmflows |
1.0.0 |
Automation of computations in quantum chemistry. |
2023-10-06 21:38:33 |
pyoptmat |
1.3.5 |
Statistical inference for material models |
2023-09-22 16:58:19 |
maml |
2023.9.9 |
maml is a machine learning library for materials science. |
2023-09-09 22:24:42 |
dscribe |
2.1.0 |
A Python package for creating feature transformations in applications of machine learning to materials science. |
2023-09-06 05:10:15 |
pymatgen-db |
2023.7.18 |
Pymatgen-db is a database add-on for the Python Materials Genomics (pymatgen) materials analysis library. |
2023-07-18 14:47:18 |
atomlib |
0.3 |
A collection of utilities to manipulate atomic structures |
2023-07-11 18:31:31 |