AlexandriaChemistry / AlexandriaChemistry/ACT
Add code to training to have only one set of charges per compound
Aperta
enhancement
- Lingua principale
- C++
- Stelle
- 18
- Fork
- 3
- Merge medio
- 42m
- PR unite (30g)
- 12
Descrizione
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.
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Valutazione
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