Skip to content

Instantly share code, notes, and snippets.

View ptosco's full-sized avatar

Paolo Tosco ptosco

50 followers · 0 following
View GitHub Profile
@ptosco
ptosco / UniquifyMatches.ipynb
Last active January 18, 2024 01:12
UniquifyMatches
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / DistinctMatches.ipynb
Last active January 18, 2024 01:12
DistinctMatches
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / CrossBonds.ipynb
Last active October 23, 2023 11:16
CrossBonds
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / EmbedMultipleCoordMap.ipynb
Created January 25, 2019 19:15
EmbedMultipleCoordMap notebook
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / assigning_bond_orders.ipynb
Created December 13, 2018 14:13
assigning_bond_orders
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / fixedCtd.ipynb
Last active February 8, 2023 06:50
Add fixed point to force field, set distance constraints to it and finally set a position constraint on it
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / FeedStringToMolSupplier.ipynb
Created December 11, 2019 22:46
Feed a string to a MolSupplier
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / ImplicitExplicitRealHs.ipynb
Created February 18, 2020 13:04
Implciit, explicit and real Hs in the context of molecule fragmentation
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
@ptosco
ptosco / SubstructMatchAromaticity.ipynb
Created May 19, 2020 14:39
SubstructMatchAromaticity
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.