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megnet
megnet PublicForked from materialsvirtuallab/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Jupyter Notebook
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A1-E2018-machine-learning-PhOLED
A1-E2018-machine-learning-PhOLED PublicForked from asyrafjanai/OLED-model
Regression model based on OLED data collected
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chemdataextractor2
chemdataextractor2 PublicForked from CambridgeMolecularEngineering/chemdataextractor2
ChemDataExtractor Version 2.0
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ChemTS
ChemTS PublicForked from tsudalab/ChemTS
Molecule Design using Monte Carlo Tree Search with Neural Rollout
Python
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