Colin A Grambow

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 10

Top Topics

Electron Transfer

Convolutional Neural Network

Top Venues

Scientific data

Journal of chemical information and modeling

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Colin A Grambow, Hayley Weir, Christian N Cunningham, Tommaso Biancalani, Kangway V Chuang
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning. Scientific data 11 (1) (2024)
Colin A Grambow, Hayley Weir, Christian N Cunningham, Tommaso Biancalani, Kangway V Chuang
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning. Scientific data 11 (1) (2024)
Mengjie Liu, Alon Grinberg Dana, Matthew S Johnson, Mark Jacob Goldman, Agnes Jocher, A Mark Payne, Colin A Grambow, Kehang Han, Nathan W Yee, Emily J Mazeau, Katrin Blondal, Richard H West, C Franklin Goldsmith, William H Green
Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. Journal of chemical information and modeling 61 (6) (2021)
Lagnajit Pattanaik, John B Ingraham, Colin A Grambow, William H Green
Generating transition states of isomerization reactions with deep learning. Physical chemistry chemical physics : PCCP 22 (41) (2020)
Colin A Grambow, Lagnajit Pattanaik, William H Green
Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry. Scientific data 7 (1) (2020)
Gabriele Scalia, Colin A Grambow, Barbara Pernici, Yi-Pei Li, William H Green
Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction. Journal of chemical information and modeling 60 (6) (2020)
Colin A Grambow, Lagnajit Pattanaik, William H Green
Deep Learning of Activation Energies. The journal of physical chemistry letters 11 (8) (2020)
Yi-Pei Li, Kehang Han, Colin A Grambow, William H Green
Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry. The journal of physical chemistry. A 123 (10) (2019)
Colin A Grambow, Yi-Pei Li, William H Green
Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach. The journal of physical chemistry. A 123 (27) (2019)
Colin A Grambow, Adeel Jamal, Yi-Pei Li, William H Green, Judit Zádor, Yury V Suleimanov
Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods. Journal of the American Chemical Society 140 (3) (2018)