Colin A Grambow
9PUBLICATIONS
20CO-AUTHORS
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Publications (9)
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|Aug 09, 2024
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning.Colin A Grambow, Hayley Weir, Christian N Cunningham
|May 28, 2021
Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation.Mengjie Liu, Alon Grinberg Dana, Matthew S Johnson
|Oct 28, 2020
Generating transition states of isomerization reactions with deep learning.Lagnajit Pattanaik, John B Ingraham, Colin A Grambow
|May 10, 2020
Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry.Colin A Grambow, Lagnajit Pattanaik, William H Green
|Apr 04, 2020
Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction.Gabriele Scalia, Colin A Grambow, Barbara Pernici
|Mar 29, 2020
Deep Learning of Activation Energies.Colin A Grambow, Lagnajit Pattanaik, William H Green
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Frequent Collaborators
8 joint publications
William H Green
3 joint publications
Yi-Pei Li
3 joint publications
Lagnajit Pattanaik
2 joint publications
Kehang Han
1 joint publications
Adeel Jamal
1 joint publications
Judit Zádor
1 joint publications
Gabriele Scalia
1 joint publications
Barbara Pernici
1 joint publications
Mengjie Liu
1 joint publications
Alon Grinberg Dana
