@macinchem.bsky.social
Registrations are open! 📥 Register here: t.ly/7hx55 Abstract Submission is open as well: t.ly/D2wv1 📝 🚨 The deadline for oral abstract submission is Midnight (GMT), Friday 18th September & for the poster presentation abstract submission is Midnight (GMT), Friday 9th October More details out soon!
The latest @openadmet.bsky.social blind challenge: t.ly/k9ye9 🚨 Imp Dates - Launch date: 17th Aug - Submission deadline: 24th Sep - Intermediate leaderboard release: 25th Sep - Challenge closes: 3rd Nov - Webinars, blog, and wrap up after 3rd Nov 📝 Challenge details can be found here: t.ly/k9ye9
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...
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 and...
macinchem.org
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...
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 build of PyMOL for...
macinchem.org
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/
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...
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...
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 advantages...
macinchem.org
📢 Don't miss your chance to register for the 10th RSC BMCS Fragment-based Drug Discovery Meeting happening from 14-16th September in Cambridge at Churchill College, University of Cambridge! #Fragments2026 ➡️ Find out more and register here! www.rscbmcs.org/even... www.eventsforce.net/...
In the spotlight today we have the Collaborative Drug Discovery - CDD Vault who will be exhibiting at this year's 9th Artificial Intelligence in Chemistry! Make sure to visit their stand! 🖼️ 📅 2nd-4th September 2026 📍 Churchill College, Cambridge, UK To register, please click here 👉 t.ly/AIC26
Charity walk for MS Society In 2020 my wife Mary died from Multiple Sclerosis. Her brother used to regularly do the MS society walks, sadly he died this year so I'm taking over and... https://macinchem.org/2026/07/21/charity-walk-for-ms-society/
RSC CICAG Distillate Now Available The Summer 2026 edition of the CICAG Distillate has been published and can be downloaded from the CICAG website http://www.rsccicag.org/newsletters.htm. This CICAG Distillate... https://macinchem.org/2026/07/17/rsc-cicag-distillate-now-available/
🔖 Logo inclusion in pdf delegate handbook and rolling slides; 📓 Exhibitors promotional page in the pdf delegate handbook; 📧 Logo included in the communication emails to delegates; 🧍 One exhibitor stand staff with access to the technical sessions and Conference dinner (excluding accommodation)
Stacks:- Run classic HyperCard stacks on modern macOS Someone just sent me this link, and it brings back many memories. Anyone else remember HyperCard? https://morphing.cloud/hypercard FEATURES Run... https://macinchem.org/2026/07/13/stacks-run-classic-hypercard-stacks-on-modern-macos/
ChemScribble, hand draw chemical structures There have been a couple of attempts to create an application that allows users to hand draw chemical structures. Some rely on chemical structure recognition to convert...
ChemScribble, hand draw chemical structures
There have been a couple of attempts to create an application that allows users to hand draw chemical structures. Some rely on chemical structure recognition to convert the final structure...
macinchem.org
Claude Science, an AI workbench for scientists, is now available Anthropic have released Claud Science, Claude Science brings fragmented tools that require specific file formats and Jupyter, R... https://macinchem.org/2026/07/01/claude-science-an-ai-workbench-for-scientists-is-now-available/
RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to Utility Registration for the Quantum Computing in Chemistry meeting is now open. It will be...
RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to Utility
Registration for the Quantum Computing in Chemistry meeting is now open. It will be held on 19th Nov 2026 at Burlington House, London, UK. Quantum computing has the potential to...
macinchem.org
ChemDoodle 2D v12.11 Update Available Version 12.11.0 is a feature update for ChemDoodle 2D. Major features include a function to generate text descriptions of figures, a fully native file chooser, improved MRV file... https://macinchem.org/2026/06/19/chemdoodle-2d-v12-11-update-available/
molar_vis — a modern molecular viewer in pure Rust There are a number of molecular visualisation tools available (many are now showing their age), but this looks an interesting addition A...
molar_vis — a modern molecular viewer in pure Rust
There are a number of molecular visualisation tools available (many are now showing their age), but this looks an interesting addition A modern, legacy-free molecular visualizer modeled after VMD, written in pure Rust. The...
macinchem.org
Digital Discovery is pleased to be sponsoring the RSC-BMCS Hot Topics online meeting on AI in Drug Discovery! The meeting will run on 3 November 2026, from 1300-1700 UK time. Registration is now open, find out more and sign up here: www.rscbmcs.org/events/hotto...
UCSF ChimeraX version 1.12 has been released The latest upsdate of the popular Biomolecular visualisation tool ChimeraX has been releasded https://www.rbvi.ucsf.edu/chimerax/download.html This update includes -... https://macinchem.org/2026/06/14/ucsf-chimerax-version-1-12-has-been-released/
PyChem-Pro I just stumbled across this when looking for something else. It looks very interesting A pure-Python desktop application and library for chemistry and cheminformatics — molecular visualization, SMILES parsing,... https://macinchem.org/2026/06/11/pychem-pro-2/
MOE update and window management For a long time the computational chemistry and molecular modelling package MOE from Chemical Computing Group has required XQuartz to provide the windowing environment. With the introduction...
MOE update and window management
For a long time the computational chemistry and molecular modelling package MOE from Chemical Computing Group has required XQuartz to provide the windowing environment. With the introduction of macOS Tahoe...
macinchem.org
This is a fantastic meeting and we are always delighted to provide as many bursaries as needed.
RSC-CICAG@rsc-cicag.bsky.social · 2mo agoThe bursary value for this event is up to £700 and applicants have to fill either an RSC-BMCS or RSC-CICAG application form. 👉 RSC BMCS bursary application form: t.ly/5E_QL 👉 RSC-CICAG bursary application form: t.ly/yY0-q ‼️ The application deadline is Friday 10th July 2026. ‼️
AIRR compute opportunity: AI open access This opportunity is open to UK-based researchers and artificial intelligence (AI) developers from academia, industry, public sector or other organisations. This funding... https://macinchem.org/2026/06/04/airr-compute-opportunity-ai-open-access/
Reaction prediction models are only as good as the reaction data they learn from. This paper is worth a look: CompleteRXN: Toward Completing Open Chemical Reaction Databases 1/5 arxiv.org/html/2605.00...
CompleteRXN: Toward Completing Open Chemical Reaction Databases
arxiv.org
ChEMBL 37 is out The latest update of the ChEMBL database is out. There are now nearly 3 million structures, 2 million assays covering over 18,000 targets. One of the big updates has... https://macinchem.org/2026/05/30/chembl-37-is-out/
9th Artificial Intelligence in Chemistry Symposium When Nathan Brown and I first discussed a proposed Artificial Intelligence in Chemistry meeting a decade ago we were concerned that the event might not... https://macinchem.org/2026/05/28/9th-artificial-intelligence-in-chemistry-symposium/
TabPFN-3: Technical Report I've written about TabPFN previously https://macinchem.org/2025/02/06/looking-at-tabpfn/ and I see a technical report has just been published. https://priorlabs.ai/technical-reports/tabpfn-3 TabPFN is a... https://macinchem.org/2026/05/18/tabpfn-3-technical-report/
Building a 3D Pharmacophore Model from PDB Data: A free Python Workflow https://www.linkedin.com/feed/update/urn:li:activity:7461059877155631105 A fantastic step-by-step breakdown of an...
Building a 3D Pharmacophore Model from PDB Data: A free Python Workflow
https://www.linkedin.com/feed/update/urn:li:activity:7461059877155631105 A fantastic step-by-step breakdown of an example Python pipeline used to build a ligand-based 3D pharmacophore model using free, open-source tools.
macinchem.org
