Ameya Daigavane
- Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
2023/07/17 by Xuan Zhang, Zhang, Xuan, Limei Wang +123 · 1 voice · 18 citations
#cs.LG #physics.comp-ph
- EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
2024/10/12 by Allan dos Santos Costa, Costa, Allan dos Santos, Ilan Mitnikov +17 · 7 citations
Computer Science · Biochemistry, Genetics and Molecular Biology · Decision Sciences · #Algorithms and Data Compression #Protein Structure and Dynamics #Scientific Computing and Data Management
- 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)
- Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation
2023/11/27 by Ameya Daigavane, Song Eun Kim, Daigavane, Ameya +5 · 2 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics #Scientific Research and Discoveries
- Reconstructing local environments from concise atomistic representations
2026/07/22 by Jigyasa Nigam, Tuong Phung, Ameya Daigavane +2 · 1 citation
#physics.comp-ph #physics.chem-ph