Open-source Cheminformtics Toolkits

18 July 202418 July 2024 chris

I’ve just updated the page on open-source cheminformatics toolkits, please let me know if I’ve missed any.

Open Source Cheminformatics Toolkits

View post by on Bluesky

@macinchem.bsky.social 5 days

Quick Look Doctor

In the review of Burette a Quick Look extension for chemical filetypes I wrote:- There are issues with this system, the same file type e.g. .sdf can be opened...
View post by on Bluesky

@macinchem.bsky.social 5 days

Raymol, Molecular visualisation for Mac, Ipad, iPhone

One of the advantages of Apple Silicon is we are starting to see applications that take advantage of the new hardware. Raymol is a free Metal-based...
View post by on Bluesky

@macinchem.bsky.social 6 days

ProLIF updated

ProLIF (Protein-Ligand Interaction Fingerprints) is a tool designed to generate interaction fingerprints for complexes made of ligands, protein, DNA or RNA molecules extracted from molecular dynamics trajectories, docking...

https://macinchem.org/2026/07/29/prolif-updated/
View post by on Bluesky

@macinchem.bsky.social 7 days

The website for RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to Utility at Burlington House, London, UK on 19th November has been updated. Includes links for abstract submission, registration and bursaries. registrations.hg3conferences.co.uk/hg3/frontend...
View post by on Bluesky

@macinchem.bsky.social 7 days

Review of Burrete

How often have you found a structure file on your desktop and wondered what it contained? You could open it in the relevant software application but one of the...

Last updated 10 minutes ago

Related Posts