Andrew Dickson White

Also affiliated with Institute for the Future

Arts and HumanitiesMaterials ScienceComputer ScienceNeuroscience

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 29 papers. Top paper: “Assessment of chemistry knowledge in large language models that generate code”.

Assessment of chemistry knowledge in large language models that generate code

Digital Discovery(2023)10.1039/d2dd00087c

N/A

4.8DataRank · unranked

106 citations

Glen M. Hocky, Heta A. Gandhi, Mehrad Ansari, Sam Cox, Geemi P. Wellawatte +6 more

Do large language models know chemistry?

ChemRxiv(2022)10.26434/chemrxiv-2022-3md3n

N/A

0.767DataRank · unranked

9 citations

Glen M. Hocky, Heta A. Gandhi, Mehrad Ansari, Sam Cox, Geemi P. Wellawatte +6 more

Kosmos: An AI Scientist for Autonomous Discovery

arXiv (Cornell University)(2025)10.48550/arxiv.2511.02824

N/A

0.396DataRank · unranked

13 citations

Angela Yiu, Benjamin Chang, Mathieu Bourdenx, Tyler Nadolski, Arvis Sulovari +32 more

Assessment of chemistry knowledge in large language models that generate code

ChemRxiv(2022)10.26434/chemrxiv-2022-3md3n-v2

N/A

0.292DataRank · unranked

6 citations

Glen M. Hocky, Heta A. Gandhi, Mehrad Ansari, Sam Cox, Geemi P. Wellawatte +6 more

Neural potentials of proteins extrapolate beyond training data

ChemRxiv(2022)10.26434/chemrxiv-2022-41f04

N/A

0.165DataRank · unranked

2 citations

Glen M. Hocky, Andrew Dickson White, Geemi P. Wellawatte

SELFIES and the future of molecular string representations

Patterns(2022)10.1016/j.patter.2022.100588

N/A

0DataRank · unranked

271 citations

Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey +26 more

Model agnostic generation of counterfactual explanations for molecules

Chemical Science(2022)10.1039/d1sc05259d

N/A

0DataRank · unranked

137 citations

Aditi Seshadri, Andrew Dickson White, Geemi P. Wellawatte

Natural language processing models that automate programming will transform chemistry research and teaching

Digital Discovery(2022)10.1039/d1dd00009h

N/A

0DataRank · unranked

64 citations

Andrew Dickson White, Glen M. Hocky

Federated learning of molecular properties with graph neural networks in a heterogeneous setting

Patterns(2022)10.1016/j.patter.2022.100521

N/A

0DataRank · unranked

43 citations

Jiebo Luo, Andrew Dickson White, Wei Zhu

Explaining molecular properties with natural language

ChemRxiv(2022)10.26434/chemrxiv-2022-v5p6m-v3

N/A

0DataRank · unranked

26 citations

Andrew Dickson White, Heta A. Gandhi

Now What Sequence? Pre-trained Ensembles for Bayesian Optimization of Protein Sequences

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.08.05.502972

N/A

0DataRank · unranked

16 citations

Katarina A. Milas, Andrew Dickson White, Ziyue Yang

Explaining structure-activity relationships using locally faithful surrogate models

ChemRxiv(2022)10.26434/chemrxiv-2022-v5p6m-v2

N/A

0DataRank · unranked

5 citations

Andrew Dickson White, Heta A. Gandhi

Predicting chemical shifts with graph neural networks

Chemical Science(2021)10.1039/d1sc01895g

N/A

0DataRank · unranked

74 citations

Maghesree Chakraborty, Andrew Dickson White, Ziyue Yang

Explaining structure-activity relationships using locally faithful surrogate models

ChemRxiv(2022)10.26434/chemrxiv-2022-v5p6m

N/A

0DataRank · unranked

2 citations

Andrew Dickson White, Heta A. Gandhi

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

Digital Discovery(2023)10.1039/d3dd00113j

N/A

0DataRank · unranked

208 citations

Qianxiang Ai, Alexander Al‐Feghali, Shruti Badhwar, Joshua D. Bocarsly, Andres M Bran +48 more

Serverless Prediction of Peptide Properties with Recurrent Neural Networks

Journal of Chemical Information and Modeling(2023)10.1021/acs.jcim.2c01317

N/A

0DataRank · unranked

42 citations

Andrew Dickson White, Mehrad Ansari

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

PubMed(2023)10.25418/crick.24297949.v1

N/A

0DataRank · unranked

29 citations

Qianxiang Ai, Alexander Al‐Feghali, Shruti Badhwar, Joshua D. Bocarsly, Andres M Bran +48 more

Neural potentials of proteins extrapolate beyond training data

The Journal of Chemical Physics(2023)10.1063/5.0147240

N/A

0DataRank · unranked

10 citations

Glen M. Hocky, Andrew Dickson White, Geemi P. Wellawatte

Neural potentials of proteins extrapolate beyond training data

ChemRxiv(2023)10.26434/chemrxiv-2022-41f04-v2

N/A

0DataRank · unranked

2 citations

Glen M. Hocky, Andrew Dickson White, Geemi P. Wellawatte

Neural potentials of proteins extrapolate beyond training data

ChemRxiv(2023)10.26434/chemrxiv-2022-41f04-v3

N/A

0DataRank · unranked

2 citations

Glen M. Hocky, Andrew Dickson White, Geemi P. Wellawatte

Learning Peptide Properties with Positive Examples Only

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.06.01.543289

N/A

0DataRank · unranked

2 citations

Andrew Dickson White, Mehrad Ansari

Predicting small molecules solubilities on endpoint devices using deep ensemble neural networks

arXiv (Cornell University)(2023)10.48550/arxiv.2307.05318

N/A

0DataRank · unranked

1 citations

Andrew Dickson White, Mayk Caldas Ramos

Augmenting large language models with chemistry tools

Nature Machine Intelligence(2024)10.1038/s42256-024-00832-8

N/A

0DataRank · unranked

611 citations

Sam Cox, Oliver Schilter, Carlo Baldassari, Andrew Dickson White, Philippe Schwaller +1 more

Learning peptide properties with positive examples only

Digital Discovery(2024)10.1039/d3dd00218g

N/A

0DataRank · unranked

14 citations

Andrew Dickson White, Mehrad Ansari

A Perspective on Explanations of Molecular Prediction Models

ChemRxiv(2022)10.26434/chemrxiv-2022-qfv02

N/A

0DataRank · unranked

4 citations

Heta A. Gandhi, Aditi Seshadri, Andrew Dickson White, Geemi P. Wellawatte

Model agnostic generation of counterfactual explanations for molecules

(2021)10.33774/chemrxiv-2021-4qkg8-v2

N/A

0DataRank · unranked

6 citations

Aditi Seshadri, Andrew Dickson White, Geemi P. Wellawatte

Model agnostic generation of counterfactual explanations for molecules

ChemRxiv(2021)10.26434/chemrxiv-2021-4qkg8-v2

N/A

0DataRank · unranked

5 citations

Aditi Seshadri, Andrew Dickson White, Geemi P. Wellawatte

Model agnostic generation of counterfactual explanations for molecules

ChemRxiv(2021)10.26434/chemrxiv-2021-4qkg8

N/A

0DataRank · unranked

4 citations

Aditi Seshadri, Andrew Dickson White, Geemi P. Wellawatte

Model agnostic generation of counterfactual explanations for molecules

(2021)10.33774/chemrxiv-2021-4qkg8

N/A

0DataRank · unranked

1 citations

Aditi Seshadri, Andrew Dickson White, Geemi P. Wellawatte