Supporting Data for "Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning"

OPEN ACCESS

Downloads

qtaim_props_ncp_v2019.pkl (Python pickle file, 3002.93 MB)
qtaim_props_ncp_pde10a.pkl (Python pickle file, 213.17 MB)
qtaim_props_ncp_pdbbind.pkl (Python pickle file, 4005.12 MB)
qtaim_props_bcp_pde10a.pkl (Python pickle file, 33.14 MB)
qtaim_props_bcp_pdbbind.pkl (Python pickle file, 471.03 MB)

Author / Producer

Date

2024-01-18

Publication Type

Dataset

ETH Bibliography

yes

Citations

Altmetric
OPEN ACCESS

Downloads

qtaim_props_ncp_v2019.pkl (Python pickle file, 3002.93 MB)
qtaim_props_ncp_pde10a.pkl (Python pickle file, 213.17 MB)
qtaim_props_ncp_pdbbind.pkl (Python pickle file, 4005.12 MB)
qtaim_props_bcp_pde10a.pkl (Python pickle file, 33.14 MB)
qtaim_props_bcp_pdbbind.pkl (Python pickle file, 471.03 MB)

Data

Rights / License

Creative Commons Attribution-NonCommercial 4.0 International north_east

Permanent link

https://doi.org/10.3929/ethz-b-000653723

Publication status

External links

Editor

Contributors

Other: Atz, Kenneth
Other: Riniker, Sereina
Project leader: Schneider, Gisbert

Book title

Journal / series

Volume

Pages / Article No.

Publisher

ETH Zurich

Event

Edition / version

Methods

Software

Geographic location

Date collected

Date created

Subject

Organisational unit

03852 - Schneider, Gisbert / Schneider, Gisbert check_circle

Notes

Funding

Related publications and datasets

More

Show all metadata