Matt Swain
@mcs07.bsky.social
Software and cheminformatics for drug discovery. Working at D. E. Shaw Research.
Pinned
Matt Swain
@mcs07.bsky.social
· Sep 9
GitHub - mcs07/PubChemPy: Python wrapper for the PubChem PUG REST API.
Python wrapper for the PubChem PUG REST API. Contribute to mcs07/PubChemPy development by creating an account on GitHub.
github.com
Finally released a new version of PubChemPy with lots of much-needed fixes. Only took me 8 years (!) to get around to it 😅 - thanks to everyone who filed bug reports and contributed PRs. github.com/mcs07/PubChe... #chemsky #cheminformatics
Finally released a new version of PubChemPy with lots of much-needed fixes. Only took me 8 years (!) to get around to it 😅 - thanks to everyone who filed bug reports and contributed PRs. github.com/mcs07/PubChe... #chemsky #cheminformatics
GitHub - mcs07/PubChemPy: Python wrapper for the PubChem PUG REST API.
Python wrapper for the PubChem PUG REST API. Contribute to mcs07/PubChemPy development by creating an account on GitHub.
github.com
September 9, 2025 at 6:15 PM
Finally released a new version of PubChemPy with lots of much-needed fixes. Only took me 8 years (!) to get around to it 😅 - thanks to everyone who filed bug reports and contributed PRs. github.com/mcs07/PubChe... #chemsky #cheminformatics
Reposted by Matt Swain
Welcome, Noel O’Boyle!
Joining as EMBL-EBI’s new Chemical Resources Team Leader, Noel brings with him a background in chemistry, programming, & data-driven drug discovery 💊
Find out more:
www.ebi.ac.uk/about/news/p...
Joining as EMBL-EBI’s new Chemical Resources Team Leader, Noel brings with him a background in chemistry, programming, & data-driven drug discovery 💊
Find out more:
www.ebi.ac.uk/about/news/p...
Welcome: Noel O’Boyle
EMBL-EBI’s new Chemical Biology Resources Team Leader aims to encourage community engagement and explore AI-driven approaches.
www.ebi.ac.uk
April 30, 2025 at 10:49 AM
Welcome, Noel O’Boyle!
Joining as EMBL-EBI’s new Chemical Resources Team Leader, Noel brings with him a background in chemistry, programming, & data-driven drug discovery 💊
Find out more:
www.ebi.ac.uk/about/news/p...
Joining as EMBL-EBI’s new Chemical Resources Team Leader, Noel brings with him a background in chemistry, programming, & data-driven drug discovery 💊
Find out more:
www.ebi.ac.uk/about/news/p...
Reposted by Matt Swain
There's a new #RDKit blog post introducing some new functionality that I'm really excited about: doing efficient substructure and similarity searches in very large chemical libraries:
greglandrum.github.io/rdkit-blog/p...
#ChemSky
greglandrum.github.io/rdkit-blog/p...
#ChemSky
Introducing Synthon Searching – RDKit blog
Searching unreasonably large chemical spaces in reasonable amounts of time.
greglandrum.github.io
December 3, 2024 at 7:21 AM
There's a new #RDKit blog post introducing some new functionality that I'm really excited about: doing efficient substructure and similarity searches in very large chemical libraries:
greglandrum.github.io/rdkit-blog/p...
#ChemSky
greglandrum.github.io/rdkit-blog/p...
#ChemSky