UnixJunkie/molenc Issues
implement UCECFP*
Closed 2inverted index
Closed 3new minor release in opam
Closed 1molenc_rotbonds
Closed 2atom typing scheme in molenc_AP
Closed 1Fingerprint generation
Closed 8implement k-means
Updated 3LL filter but no DL filter?
Closed 1BBAD for molecular descriptors
Closed 4BBAD from a .AP file
Closed 2new release in opam
Closed 3SMILEYS encoder / decoder
Closed 2improve standardize.py
Closed 3implement ROGI
Updatedmolenc_diam
Closed 1molenc_dsmi
Closed 3molenc_padel.py
Closed 2molent_get: support .ph4 files
Closed 1bug in 3DAE
Closed 1new tool ligprep
Closed 4new tool: molenc_split
Closed 2molenc_index
Closed 2--SA-filter [SA_MAX]
Closed 1--DL-filter
Closed 2--LL-filter
Closed 1bug in fragmentable_mol.ml
Closed 1