Ceder Group

chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

smol

Statistical Mechanics on Lattices

text-mined-synthesis_public

Codes for text-mined solid-state reactions dataset

alabos

AlabOS: Managing the workflows in the Autonomous lab

SynthesisSimilarity

s4

Solid-state synthesis science analyzer. Thermo, features, ML, and more.

LimeSoup

LimeSoup is a package to parse HTML or XML papers from different publishers.

sparse-lm

Sparse Linear Regression Models

text-mined-solution-synthesis_public

MaterialParser

Utility to compile string of chemical terms into data structure with chemical formula and composition

WFacer

Modulated automation of cluster expansion based on atomate2 and Jobflow

MatBERT_NER

General training framework for NER models on MatBERT

synthesis-paragraph-classifier

Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524-019-0204-1)

Borges

Web Scarping Engines

TEMExtraction

text-mined-aunp-synthesis_public

alab_control

MatBERT-synthesis-classifier

A synthesis paragraph classifier built by fine-tuning MatBERT

synthesis-action-retriever

Annotated dataset and scripts for automatic retrieval of materials synthesis actions.

text2chem

RegEx-based text parser that converts chemical terms and material entities into chemical datastructure.

MatEntityRecognition

Extract materials from paragraphs and recognize the targets and precursors

MultiFil

High Throughput PathFinder and ApproxNEB repo

ReactionCompleter

Heuristics to complete a chemical reaction

TEMExtraction-webapp

TextCleanUp

Clean-up tools for text and materials names and everything else

.github

shared file and templates repo

alab_experiment_helper

MaterialAmountExtractor

SynCheck

SynCheck is a web interface for the Text Mining Pipeline that processes synthesis text, extracts information about targets, precursors and synthesis operations, and constructs synthesis graph.

ValenceSolver