AlexandriaChemistry / AlexandriaChemistry/ACT
Add code to training to have only one set of charges per compound
Aberta
enhancement
- Linguagem predominante
- C++
- Estrelas
- 18
- Forks
- 3
- Merge médio
- 42min
- PRs com merge (30d)
- 12
Descrição
During training, charges will be generated for each copy of a molecule, which may lead to slightly different charges. This maybe undesirable, so it would be good to have code to have only one set of charges per compound. This will require more communication and organisation.
Guia de contribuição
Nenhum guia de contribuição indexado para este repositório
Avaliação
Esta issue ainda não foi avaliada.