Joshua A. Rackers

1. The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models
   2025/05/13 by Daniel S. Levine, Levine, Daniel S., Muhammed Shuaibi +43 · 6 voices · 26 citations
   #physics.chem-ph
2. 3D molecule generation by denoising voxel grids
   2023/06/13 by Pedro O. Pinheiro, Pinheiro, Pedro O., Joshua A. Rackers +15 · 8 citations
   Biochemistry, Genetics and Molecular Biology · Materials Science · #Cell Image Analysis Techniques #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics #Quantitative Methods (q-bio.QM)
3. JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles
   2024/10/18 by Ameya Daigavane, Daigavane, Ameya, Bodhi P. Vani +8 · 5 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · Engineering · #Biological Physics (physics.bio-ph) #Biomolecules (q-bio.BM) #Chemical Synthesis and Analysis #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Innovative Microfluidic and Catalytic Techniques Innovation #Machine Learning (cs.LG)
4. On the design space between molecular mechanics and machine learning force fields
   2025/04/02 by Yuanqing Wang, Kenichiro Takaba, Michael S. Chen +14 · 1 voice · 2 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics