Published September 19, 2022
| Version v1
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Data samples for Flow-matching -- efficient coarse-graining molecular dynamics without forces
- 1. Department of Mathematics and Computer Science, Freie Universität Berlin
- 2. Department of Physics, Freie Universität Berlin; Center for Theoretical Biological Physics, Rice University; Department of Physics, Rice University; Department of Chemistry, Rice University
- 3. Department of Mathematics and Computer Science, Freie Universität Berlin; Department of Physics, Freie Universität Berlin; Department of Physics, Rice University; Microsoft Research Cambridge
Description
CG samples generated during the training and validation processes in the flow-matching project. Accompanying the preprint "Flow-matching -- efficient coarse-graining molecular dynamics without forces": https://arxiv.org/abs/2203.11167. Detailed descriptions can be found in the preprint as well as the included README.
Notes
We gratefully acknowledge funding from European Commission (Grant No. ERC CoG 772230 "ScaleCell"), the International Max Planck Research School for Biology and Computation (IMPRS–BAC), the BMBF (Berlin Institute for Learning and Data, BIFOLD), the Berlin Mathematics center MATH+ (AA1-6, EF1-2) and the Deutsche Forschungsgemeinschaft DFG (GRK DAEDALUS, SFB1114/A04 and B08). C.C. acknowledges funding from the Deutsche Forschungsgemeinschaft DFG (SFB/TRR 186, Project A12; SFB 1114, Projects B03 and A04; SFB 1078, Project C7; and RTG 2433, Project Q05), the National Science Foundation (CHE-1738990, CHE-1900374, and PHY-2019745), and the Einstein Foundation Berlin (Project 0420815101).
Files
ala2.zip
Additional details
Related works
- Is described by
- Preprint: 10.48550/arXiv.2203.11167 (DOI)