Hugging Face
Models
Datasets
Spaces
Buckets
new
Docs
Enterprise
Pricing
Website
Tasks
HuggingChat
Collections
Languages
Organizations
Community
Blog
Posts
Daily Papers
Hardware
Learn
Discord
Forum
GitHub
Solutions
Team & Enterprise
Hugging Face PRO
Enterprise Support
Inference Providers
Inference Endpoints
Storage Buckets
Log In
Sign Up
Datasets:
Tc-43
/
PDE5_Inhibitor_Designs_2H42
Like
0
Tasks:
Tabular Regression
Graph Machine Learning
Other
Modalities:
Tabular
Text
Formats:
csv
Languages:
English
Size:
1K - 10K
Tags:
chemistry
biology
drug-discovery
molecular-docking
phosphodiesterase
pde5
+ 31
Libraries:
Datasets
pandas
Polars
+ 1
License:
cc-by-4.0
Dataset card
Data Studio
Files
Files and versions
xet
Community
1
main
PDE5_Inhibitor_Designs_2H42
16.6 MB
1 contributor
History:
5 commits
Tc-43
Enrich card metadata: keyword tags, pretty_name, task_categories, dataset-viewer config
876234a
verified
2 days ago
structures
Add PDE5 (2H42) GA-II design set: 2090 docked designs, poses, receptor
24 days ago
.gitattributes
Safe
2.5 kB
initial commit
24 days ago
README.md
Safe
7.6 kB
Enrich card metadata: keyword tags, pretty_name, task_categories, dataset-viewer config
2 days ago
designs.csv
Safe
648 kB
Add PDE5 (2H42) GA-II design set: 2090 docked designs, poses, receptor
24 days ago
ligands.sdf
Safe
6.71 MB
Add PDE5 (2H42) GA-II design set: 2090 docked designs, poses, receptor
24 days ago
receptor_2H42.pdb
Safe
623 kB
Add PDE5 (2H42) GA-II design set: 2090 docked designs, poses, receptor
24 days ago