FINETUNA: fine-tuning accelerated molecular simulations.
Joseph MusielewiczXiaoxiao WangTian TianZachary W. UlissiPublished in: Mach. Learn. Sci. Technol. (2022)
Keyphrases
- fine tuning
- molecular dynamics
- viable alternative
- fine tuned
- fine tune
- molecular dynamics simulations
- numerical simulations
- website
- data sets
- simulation model
- molecular structure
- dna computing
- mathematical analysis
- general purpose
- artificial neural networks
- search algorithm
- three dimensional
- information retrieval
- machine learning