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Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science

Ord Data ⭐ 155

Official data repository for the Open Reaction Database

Spectrochempy ⭐ 102

SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python

Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry

Pem Dataset1 ⭐ 43

Proton Exchange Membrane (PEM) Fuel Cell Dataset

Mddatasetbuilder ⭐ 34

A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.

Biobtree ⭐ 13

A bioinformatics tool to search, map and retrieve identifiers, keywords and attributes

Computer Vision For The Chemistry Lab ⭐ 9

Use convolutional neural net to detect segment and classify material phases and vessels in chemistry lab and other setting involving materials in mostly transparent vessels

Dbfc Dataset ⭐ 8

Single DBFC Dataset

Molecular Data ⭐ 8

Localized, extended periodic table and more in JSON, CSV, YAML, XML and Plist format

Carbon Data ⭐ 6

A 22.9 million carbon atom dataset

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