GitHub topics: lbvs
UnixJunkie/molenc
MolEnc: a molecular encoder using rdkit and OCaml.
Language: OCaml - Size: 9.04 MB - Last synced at: 7 days ago - Pushed at: 18 days ago - Stars: 19 - Forks: 2
UnixJunkie/rankers
Reference implementation of the Vanishing Ranking Kernels (VRK) method
Language: OCaml - Size: 361 KB - Last synced at: 7 days ago - Pushed at: over 2 years ago - Stars: 5 - Forks: 0
KeyanGootkin/P-Cygni-Spectropolarimetry
Code for spectropolarimetric analysis of the LBV star P-Cygni.
Language: Jupyter Notebook - Size: 6.3 MB - Last synced at: 9 months ago - Pushed at: over 5 years ago - Stars: 0 - Forks: 0
UnixJunkie/ACPC
Chemoinformatics tool for ligand-based virtual screening
Language: OCaml - Size: 673 KB - Last synced at: 7 days ago - Pushed at: over 2 years ago - Stars: 19 - Forks: 2
UnixJunkie/align-it
backup of silicos-it's align-it-1.0.4
Language: C++ - Size: 64.5 KB - Last synced at: 7 days ago - Pushed at: over 6 years ago - Stars: 9 - Forks: 2
UnixJunkie/consent
ligand-based virtual screening with consensus queries
Language: OCaml - Size: 144 KB - Last synced at: 7 days ago - Pushed at: over 1 year ago - Stars: 8 - Forks: 4
UnixJunkie/hts_shrink
Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets
Language: OCaml - Size: 2.55 MB - Last synced at: 7 days ago - Pushed at: over 1 year ago - Stars: 7 - Forks: 2
UnixJunkie/lbvs_no_decoys
Two datasets for Ligand-Based Virtual Screening benchmarking without decoys
Size: 1000 Bytes - Last synced at: 26 days ago - Pushed at: over 7 years ago - Stars: 2 - Forks: 1