Samuel Goldman
Samuel Goldman
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Cited by
Evidential deep learning for guided molecular property prediction and discovery
AP Soleimany, A Amini, S Goldman, D Rus, SN Bhatia, CW Coley
ACS central science 7 (8), 1356-1367, 2021
FLIP: Benchmark tasks in fitness landscape inference for proteins
C Dallago, J Mou, KE Johnston, BJ Wittmann, N Bhattacharya, S Goldman, ...
Thirty-fifth Conference on Neural Information Processing Systems Datasets …, 2021
Machine learning modeling of family wide enzyme-substrate specificity screens
S Goldman, R Das, KK Yang, CW Coley
PLoS computational biology 18 (2), e1009853, 2022
A time series transcriptome analysis of cassava (Manihot esculenta Crantz) varieties challenged with Ugandan cassava brown streak virus
T Amuge, DK Berger, MS Katari, AA Myburg, SL Goldman, ME Ferguson
Scientific reports 7 (1), 9747, 2017
Annotating metabolite mass spectra with domain-inspired chemical formula transformers
S Goldman, J Wohlwend, M Stražar, G Haroush, RJ Xavier, CW Coley
Nature Machine Intelligence 5 (9), 965-979, 2023
Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles
AR Tan, S Urata, S Goldman, JCB Dietschreit, R Gómez-Bombarelli
npj Computational Materials 9 (1), 225, 2023
Mol2Image: improved conditional flow models for molecule to image synthesis
K Yang, S Goldman, W Jin, AX Lu, R Barzilay, T Jaakkola, C Uhler
Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern …, 2021
Prefix-tree decoding for predicting mass spectra from molecules
S Goldman, J Bradshaw, J Xin, C Coley
Advances in Neural Information Processing Systems 36, 48548-48572, 2023
EHreact: extended Hasse diagrams for the extraction and scoring of enzymatic reaction templates
E Heid, S Goldman, K Sankaranarayanan, CW Coley, C Flamm, ...
Journal of Chemical Information and Modeling 61 (10), 4949-4961, 2021
Generating molecular fragmentation graphs with autoregressive neural networks
S Goldman, J Li, CW Coley
Analytical Chemistry 96 (8), 3419-3428, 2024
Evidential deep learning for guided molecular property prediction and discovery ACS Cent
AP Soleimany, A Amini, S Goldman, D Rus, SN Bhatia, CW Coley
Sci 7 (8), 1356-1367, 2021
MIST-CF: Chemical formula inference from tandem mass spectra
S Goldman, J Xin, J Provenzano, CW Coley
Journal of Chemical Information and Modeling 64 (7), 2421-2431, 2023
Generative Models for Codon Prediction and Optimization
DK Yang, SL Goldman, E Weinstein, D Marks
Machine Learning in Computational Biology, 2019
Machine Learning Methods for Discovering Metabolite Structures from Mass Spectra
SL Goldman
Massachusetts Institute of Technology, 2024
Resonant learning in scale-free networks
S Goldman, M Aldana, P Cluzel
PLOS Computational Biology 19 (2), e1010894, 2023
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