Colin A. Grambow

According to our database, Colin A. Grambow authored at least 6 papers between 2019 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion.

Colin A. Grambow, Hayley Weir, Nathaniel L. Diamant, Alex M. Tseng, Tommaso Biancalani, Gabriele Scalia, Kangway V. Chuang

CoRR, 2023

CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning.

Colin A. Grambow, Hayley Weir, Christian N. Cunningham, Tommaso Biancalani, Kangway V. Chuang

CoRR, 2023

2022

RMG Database for Chemical Property Prediction.

Matthew S. Johnson, Xiaorui Dong, Alon Grinberg Dana, Yunsie Chung, David Farina, Ryan J. Gillis, Mengjie Liu, Nathan W. Yee, Katrin Blondal, Emily J. Mazeau, Colin A. Grambow, A. Mark Payne, Kevin A. Spiekermann, Hao-Wei Pang, C. Franklin Goldsmith, Richard H. West, William H. Green Jr.

J. Chem. Inf. Model., 2022

2021

Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation.

Mengjie Liu, Alon Grinberg Dana, Matthew S. Johnson, Mark J. 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 Jr.

J. Chem. Inf. Model., 2021

2020

Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction.

Gabriele Scalia, Colin A. Grambow, Barbara Pernici, Yi-Pei Li, William H. Green Jr.

J. Chem. Inf. Model., 2020

2019

Evaluating Scalable Uncertainty Estimation Methods for DNN-Based Molecular Property Prediction.

Gabriele Scalia, Colin A. Grambow, Barbara Pernici, Yi-Pei Li, William H. Green Jr.

CoRR, 2019