RT @jcheminf: new: "Fast, efficient fragment-based coordinate generation for Open Babel" https://t.co/hFiknH849o https://t.co/dmW8nuwFaA
1,396 followers
2,233 followers
@QCTDFT @olexandr @CompChemBioBot @OpenBabel_org Depends. @OpenBabel_org is definitely faster than @RDKit_org because it uses fragment placement. OTOH, they’re about the same speed once you run some minimization with a force field. Both projects are contin
2,356 followers
RT @ghutchis: This release is a major step forward, including more accurate translation, the new fragment-based 3d coordinate generator (ht…
675 followers
RT @ghutchis: This release is a major step forward, including more accurate translation, the new fragment-based 3d coordinate generator (ht…