Published May 21, 2026 | Version v1
Dataset Open

Dataset and Example Model for Molecular Function-guided Unsupervised Similarity-based Enrichment for Low-Data Virtual Screening

Description

Dataset and example high-performing UMAP model for virtual screening within the MolFuSE software package.

Files

ABL1_UMAP_features_2d_nn10_md0p01_rep1.zip

Files (35.6 GB)

Name Size
md5:5460d94659438d0a69f8fda719335181
17.5 GB Preview Download
md5:21b537446cb6450139c711f1b819cdd5
18.1 GB Download

Additional details

Dates

Submitted
2026-05-21

Software

Repository URL
https://github.com/m3-center/molfuse
Programming language
Python
Development Status
Active