Leswing, Karl
Schrodinger (United States)
3 papers on CoChat
Most cited papers
- Verified
MoleculeNet: a benchmark for molecular machine learning
Wu, Z., Ramsundar, B., Feinberg, E. N., Gomes, J., Geniesse, C., Pappu, A. S., Leswing, K., & Pande, V. (2018) · Chemical Science
Computational Drug Discovery MethodsMachine Learning in Materials Science
Cited by 3,107
- Verified
FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols Using Active Learning
de Oliveira, C., Leswing, K., Feng, S., Kanters, R., Abel, R., & Bhat, S. (2023) · Journal of Chemical Information and Modeling
Computational Drug Discovery MethodsAdvanced Chemical Physics Studies
Cited by 15
- Verified
FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols using Active Learning
de Oliveira, C., Leswing, K., Feng, S., Kanters, R., Abel, R., & Bhat, S. (2023) · Journal of Chemical Information and Modeling
Computational Drug Discovery MethodsAdvanced Chemical Physics Studies
Cited by 15
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