josephmontoya-tri Goto Github PK

api

New API for Materials Project

atomate2

awesome-materials-informatics

Curated list of known efforts in materials informatics

beep

Battery estimation and early prediction

camd

Agent-based sequential learning software for materials discovery

camd-bkp

crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.

ftcp

FTCP code

icsdclient

A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/index.xhtml for further details.

mat2spec

materialnet

Prototype visualization for TRI materials network data

matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

monty

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.

piro

Software for evaluating pareto-optimal synthesis pathways

plotly.py

An open-source, interactive graphing library for Python :sparkles:

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

qmpy_py3

A suite of computational materials science tools.

tri-hackathon-2020

Assets and tutorial for the TRI hackathon 2020

xtal2dos

Attention-based Crystal to Sequence Learning for Density of States Prediction