Standout Papers

MoleculeNet: a benchmark for molecular machine learning 2017 2026 2020 2023 1.5k
  1. MoleculeNet: a benchmark for molecular machine learning (2017)
    Zhenqin Wu, Bharath Ramsundar et al. Chemical Science
  2. Epik: p K a and Protonation State Prediction through Machine Learning (2023)
    Ryne C. Johnston, Kun Yao et al. Journal of Chemical Theory and Computation
  3. Efficient Exploration of Chemical Space with Docking and Deep Learning (2021)
    Yang Ying, Kun Yao et al. Journal of Chemical Theory and Computation

Immediate Impact

2 by Nobel laureates 14 from Science/Nature 70 standout
Sub-graph 1 of 20

Citing Papers

Rapid in silico directed evolution by a protein language model with EVOLVEpro
2024 StandoutScience
Mining human microbiomes reveals an untapped source of peptide antibiotics
2024 Standout
2 intermediate papers

Works of Karl Leswing being referenced

MoleculeNet: a benchmark for molecular machine learning
2017 Standout

Author Peers

Author Last Decade Papers Cites
Karl Leswing 1191 1411 1041 14 2.1k
Joseph Gomes 1471 1395 1089 17 2.4k
Evan N. Feinberg 1228 1573 1878 16 3.0k
Thomas Blaschke 1188 1818 1349 13 2.4k
Patrick Riley 1258 1060 674 25 2.2k
Kevin Yang 959 1309 1112 12 2.3k
Steven Kearnes 1125 1042 686 17 1.7k
Zhenqin Wu 1226 1525 1213 16 2.2k
Kyle Swanson 998 1397 1357 19 3.0k
Katja Hansen 1674 1175 552 15 2.2k
Marwin Segler 1777 1853 1252 21 3.0k

All Works

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Rankless by CCL
2026