• Stars
    star
    70
  • Rank 447,840 (Top 9 %)
  • Language
    Python
  • License
    MIT License
  • Created almost 11 years ago
  • Updated 4 months ago

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.

More Repositories

1

megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Jupyter Notebook
497
star
2

maml

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Jupyter Notebook
365
star
3

matgl

Graph deep learning library for materials
Python
247
star
4

m3gnet

Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.
Python
223
star
5

matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
Jupyter Notebook
219
star
6

mlearn

Benchmark Suite for Machine Learning Interatomic Potentials for Materials
Python
105
star
7

pyhull

Pyhull is a Python wrapper to Qhull (http://www.qhull.org/) for the computation of the convex hull, Delaunay triangulation and Voronoi diagram.
C
99
star
8

pymatgen-analysis-diffusion

This add-on to pymatgen provides tools for analyzing diffusion in materials.
Python
90
star
9

matcalc

A python library for calculating materials properties from the PES
Python
61
star
10

nano281

Data Science for Materials Science
Jupyter Notebook
56
star
11

snap

Repository for spectral neighbor analysis potential (SNAP) model development.
AMPL
36
star
12

garnetdnn

This repo implements a web application utilizing a deep neural network to predict the formation energies and stability of garnet crystals.
Python
32
star
13

nano106

Course materials for NANO 106 - Crystallography of Materials
Jupyter Notebook
31
star
14

nano266

Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials
Python
19
star
15

veidt

Veidt is a deep learning library for materials science.
Python
18
star
16

flamyngo

Flask frontend for MongoDB
Python
15
star
17

materials.sh

materials.sh
Python
10
star
18

Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-Conductors

Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors"
Jupyter Notebook
10
star
19

matgenie

Web interface to pymatgen
Python
5
star
20

materialsvirtuallab.github.io

A guide to the Materials Virtual Lab
TeX
4
star
21

ceng114

Repository for CENG114 Probability and Statistics for Engineers
Jupyter Notebook
4
star
22

thematerialsapp

An Android Application for the Materials Project
Java
1
star