Jérémy

I'm proud to have received the award and be recognised from peers across medicinal and computational chemistry. And I hope that AI will continue to positively impact the drug discovery community and deliver more drugs for patients.

@wpwalters Thanks for the post. Another addition is X axis (or y axis) to be the same overall, and when possible started at 0 (histograms with non 0 origin can be misleading sometimes). Osmordred are doing w ll

In a new Practical Cheminformatics post titled "Even More Thoughts on ML Method Comparisons," I share several plots that I find valuable for comparing machine learning methods. practicalcheminformatics.blogspot.com/2025/03/even-m…

@baoilleach @marwinsegler Congratulations Noel!

@marwinsegler Thanks so much Marwin.

Some exciting career news! baoilleach.blogspot.com/2024/12/moving…

📢 JOB ALERT 📢 My team @molecularML is searching for a #postdoc with a background in medicinal chemistry! 👩‍🔬👨‍🔬🧪 Do you have the experience? Are you eager to contribute to #AI for discovering new drugs? 👉Then DM me! Funded by @ERC_Research and located at @TUeindhoven 🚀

@johnpoverington Can you get another one for your next trip to UK 😅 I like my @peakdesignltd but I didn't go for lightest version 💷

@rguha Can you take the bike on ferry? Tough choice

Tough commuting choices these days - enjoy the breeze and adrenaline of riding fast through traffic - enjoy the breeze and relax with views from the ferry

@johnpoverington Start of my PhD!

@H1O @pitdesi But you are not allowed to do that 😅 illegal to get a bridge 3 miles up and down, nationaltransporttrust.org.uk/heritage-sites….

@pitdesi I'm gonna build a bridge right next to it and charge 4p to cross

I drove over a bridge near Oxford and paid a man the 5p (6.4¢) toll. Min wage in the UK is £11.44; to break even they’d need 458 cars/hour to cross (2 tollmen). The bridge is a tax haven- privately owned, George III decree’d it tax free indefinitely in 1769.

@drrichjlaw Geneva was a lot more cloudy this evening 😅 but still nice view

The best things about Switzerland 🇨🇭 are the views & the ice cream!

@GpcReid @GpcrL I went out 10:30, nothing. But 11pm was good time. Got lucky

Not so northern lights. Amazing colours here in the Cambridgeshire sky…..

@iwatobipen Nice. For model the qputna (now QSARTuna) package can be used; and to filter compound I like @datamol_io libraries and med hem one github.com/datamol-io/med…

Try to use new version of REINVENT #cheminformatics #memo #rdkit iwatobipen.wordpress.com/2024/04/20/try…

@skepteis For PDBbind, did you do some clean up? Script has refined_folder for pre processing. Thanks.

If you want to give it a try on your own data, it's just a pip install away: pip install molzip The code and a few lines of code to get you started can be found on the project's GitHub repository: github.com/daenuprobst/mo…

Now this is the story all about how @WeinreichJan and I took GZip and used it to match the performance of transformers on molecular property prediction and perform better than most GNNs on protein-ligand binding affinty prediction. In 5 mins. On the CPU. chemrxiv.org/engage/chemrxi…

@SuperScienceGrl Would a door insulation strip work if attached to the door and stop the gap when closed?

My thoughts so far: 1) Wooden or rubber shims (might be hard to do and to keep in place) 2) Expanding foam underneath - I want to fill the subsill anyway (but this seems like a bad idea as it'll be compressible over time) 3) ?????

More #DIY questions... This is my door subsill, a deep cast iron tray with no threshold on top. I need to fix this as there's a huge insulation gap, but the hardwood floor is not flat wrt the sill. How can I add a threshold effectively when a flat piece will rest on 3 points?

@TVP_WestOxon do you know what's happening at Wolvercote roundabout ? #a40 not moving. Thanks.

@GpcReid Similar here

@LeShuttle_Help do you have update on train from Calais to UK? All signs say on time but cars are not moving for the 17:50 train and our previous letter already missed the 17:20 with no notice. Thanks.

@baragana_b @UoDLifeSciences @DDU_Dundee @WCAIRDundee Congratulations and well deserved!

@daniel_reker @hollywen7 @DukeEngineering @UofT Somehow all your tweets between 1 and 10 are shown as unavailable for me 🙈

Big congratulations on this exciting work to the whole team and especially first author Holly @hollywen7, our successful @DukeEngineering Master's Student Research Fellow and now PhD student @UofT! (10/10)

🚨📝New preprint alert from your lab 📝 🚨 “Improving Molecular Machine Learning Through Adaptive Subsampling with Active Learning” doi.org/10.26434/chemr… A short thread with details below 🧵👇 (1/10) #MachineLearning #drugdiscovery #ML #Cheminformatics #chemtwitter #Science

@GpcReid @Metric @DrFintan How many EXS people were there?!

@KRHornberger Préparation and communication are really important. The first call may not be with an expert in the field but talent recruiter, being able to nicely communicate information will be more valuable than lots and lots of technical details. Keep them for next round 😅

Continuing the Friday pharma industry #EarlyCareer tip series. Last time we talked about putting together a compelling CV and research summary. This time let’s talk about the next step: phone interviews. 1/

ICYMI, here's the corporate presentation Exscientia used at #JPM23 this week. $EXAI. #precisionmedicine s28.q4cdn.com/460399462/file… @exscientiaAI