Skip to content

Instantly share code, notes, and snippets.

View ptosco's full-sized avatar

Paolo Tosco ptosco

51 followers · 0 following
View GitHub Profile
@ptosco
ptosco / ExocyclicTautomers.ipynb
Created September 23, 2020 15:10
ExocyclicTautomers
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / CountMACCS.ipynb
Last active September 9, 2020 09:06
CountMACCS
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / AddHsWithCoordsSp2BugFixed.ipynb
Created August 30, 2020 13:15
AddHsWithCoordsSp2BugFixed
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / AddHsWithCoordsSp2Bug.ipynb
Created August 30, 2020 13:09
AddHsWithCoordsSp2Bug
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / Layout2DHydrogens.ipynb
Created August 27, 2020 22:01
Layout2DHydrogens
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / RenumberAtoms2.ipynb
Created August 24, 2020 13:21
RenumberAtoms2
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / PDBChlorine.ipynb
Created August 22, 2020 14:20
PDBChlorine
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / Tetherheavy.ipynb
Created August 21, 2020 21:47
TetherHeavy
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / CanonicalReordering.ipynb
Created August 14, 2020 20:31
CanonicalReordering
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / EZ_stereo.ipynb
Created July 29, 2020 10:18
EZ double bond stereochemistry in RDKit
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.