202 Open source projects that are alternatives of or similar to mongodb-chemistry

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organic chemistry reaction prediction using NMT with Attention

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Official Python client for accessing ChEMBL API.

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chemical graph theory library for JavaScript

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Proton Exchange Membrane (PEM) Fuel Cell Dataset

Periodic table, physical constants, and molecule parsing for quantum chemistry.

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A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".

No description or website provided.

Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".

This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep learning.

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⚗ A package useful for chemistry written in Python

NWChem: Open Source High-Performance Computational Chemistry

vektonn.github.io/vektonn