FINETUNA: Fine-tuning Accelerated Molecular Simulations.
Joseph MusielewiczXiaoxiao WangTian TianZachary UlissiPublished in: CoRR (2022)
Keyphrases
- fine tuning
- molecular dynamics
- viable alternative
- fine tune
- molecular dynamics simulations
- three dimensional
- artificial intelligence
- image processing
- fine tuned
- simulation model
- mathematical analysis
- van der waals
- simulation models
- databases
- numerical simulations
- multiscale
- database systems
- interaction networks
- case study
- agent based simulations
- website
- machine learning