Published October 13, 2025
| Version v1
Dataset
Open
POPC Openff-2.2.1 run2
Creators
Description
POPC simuated at 298.15K
Charges assigned with openff-gnn-am1bcc-1.0.0.pt
sage-2.2.1.offxml
Run2
Files
Files
(613.5 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:10f892d7adc6e29237b29efa80e3bc86
|
99.5 kB | Download |
|
md5:b807dc2230aa755112d36e4fdbfeda52
|
823.3 kB | Download |
|
md5:c83de9ffb025dd1a8382920770c69024
|
612.6 MB | Download |