Benjamin P. Pritchard
- SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
2022/09/21 by Peter Eastman, Pavan Kumar Behara, Eastman, Peter +21 · 38 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Biomolecules (q-bio.BM) #Chemical Physics (physics.chem-ph) #Chemical Synthesis and Analysis #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics
- P SI4 1.4: Open-source software for high-throughput quantum chemistry
2020/05/13 by Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett +32 · 27 citations
Chemical Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Spectroscopy and Quantum Chemical Studies
- Nutmeg and SPICE: Models and Data for Biomolecular Machine Learning
2024/06/18 by Peter Eastman, Eastman, Peter, Benjamin P. Pritchard +5 · 10 citations
Biochemistry, Genetics and Molecular Biology · #Bioinformatics and Genomic Networks
- QCManyBody: A flexible implementation of the many-body expansion
2024/10/15 by Lori A. Burns, C. David Sherrill, Benjamin P. Pritchard · 1 voice · 1 citation
Materials Science · Physics and Astronomy · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Protein Structure and Dynamics