Samuel Goldman

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 12

Top Topics

Frequent Itemsets

Fitness Landscape

Top Venues

J. Chem. Inf. Model.

PLoS Comput. Biol.

Nat. Mac. Intell.

Publications

Samuel Goldman, Jiayi Xin, Joules Provenzano, Connor W. Coley
MIST-CF: Chemical Formula Inference from Tandem Mass Spectra. J. Chem. Inf. Model. 64 (7) (2024)
Samuel Goldman, John Bradshaw, Jiayi Xin, Connor W. Coley
Prefix-Tree Decoding for Predicting Mass Spectra from Molecules. NeurIPS (2023)
Samuel Goldman, John Bradshaw, Jiayi Xin, Connor W. Coley
Prefix-tree Decoding for Predicting Mass Spectra from Molecules. CoRR (2023)
Aik Rui Tan, Shingo Urata, Samuel Goldman, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli
Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles. CoRR (2023)
Samuel Goldman, Jeremy Wohlwend, Martin Strazar, Guy Haroush, Ramnik J. Xavier, Connor W. Coley
Annotating metabolite mass spectra with domain-inspired chemical formula transformers. Nat. Mac. Intell. 5 (9) (2023)
Samuel Goldman, Maximino Aldana, Philippe Cluzel
Resonant learning in scale-free networks. PLoS Comput. Biol. 19 (2) (2023)
Samuel Goldman, Ria Das, Kevin K. Yang, Connor W. Coley
Machine learning modeling of family wide enzyme-substrate specificity screens. PLoS Comput. Biol. 18 (2) (2022)
Samuel Goldman, Ria Das, Kevin K. Yang, Connor W. Coley
Machine learning modeling of family wide enzyme-substrate specificity screens. CoRR (2021)
Christian Dallago, Jody Mou, Kadina E. Johnston, Bruce J. Wittmann, Nicholas Bhattacharya, Samuel Goldman, Ali Madani, Kevin Yang
FLIP: Benchmark tasks in fitness landscape inference for proteins. NeurIPS Datasets and Benchmarks (2021)
Karren D. Yang, Samuel Goldman, Wengong Jin, Alex X. Lu, Regina Barzilay, Tommi S. Jaakkola, Caroline Uhler
Mol2Image: Improved Conditional Flow Models for Molecule to Image Synthesis. CVPR (2021)
Esther Heid, Samuel Goldman, Karthik Sankaranarayanan, Connor W. Coley, Christoph Flamm, William H. Green Jr.
EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates. J. Chem. Inf. Model. 61 (10) (2021)
Karren D. Yang, Samuel Goldman, Wengong Jin, Alex Lu, Regina Barzilay, Tommi S. Jaakkola, Caroline Uhler
Improved Conditional Flow Models for Molecule to Image Synthesis. CoRR (2020)