MLatom 3: Platform for machine learning-enhanced computational chemistry simulations and workflows.
Pavlo O. DralFuchun GeYi-Fan HouPeikun ZhengYuxinxin ChenMario BarbattiOlexandr IsayevCheng WangBao-Xin XueMax Pinheiro JrYuming SuYiheng DaiYangtao ChenLina ZhangShuang ZhangArif UllahQuanhao ZhangYanchi OuPublished in: CoRR (2023)
Keyphrases
- computational chemistry
- machine learning
- simulation platform
- simulation environment
- data processing
- real time
- pattern recognition
- text mining
- data analysis
- machine learning algorithms
- web services
- learning algorithm
- numerical simulations
- kernel methods
- business process
- computer science
- artificial intelligence
- knowledge acquisition
- business processes
- database
- learning systems
- data management
- information extraction
- knowledge representation
- inductive logic programming
- virtual enterprise
- simulation models
- data sets