Marvin Alberts

65 posts

Marvin Alberts

Marvin Alberts

@malberts99

PhD Student @IBMResearch; Previously MSci Chemistry @imperialcollege | Bringing #AI to Chemistry

Zurich, Switzerland Katılım Ocak 2023
160 Takip Edilen185 Takipçiler
Marvin Alberts
Marvin Alberts@malberts99·
Interested in Automating Structure Elucidation using AI? Come check out my talk at #ACSFall2024 . Today at 11:35 in Bluebird Ballroom 2G
Marvin Alberts tweet media
English
0
4
27
2.1K
Marvin Alberts retweetledi
Nina Hartrampf
Nina Hartrampf@NinaHartrampf·
Our preprint on “Merging Flow Synthesis and Enzymatic Maturation to Expand the Chemical Space of Lasso Peptides” is now available from @ChemRxiv 🧪🧫. Congratulations to first author Kevin Schiefelbein and everyone else involved 🥳 chemrxiv.org/engage/chemrxi… @Hartrampf_Lab
Nina Hartrampf tweet media
English
4
18
126
8.8K
Marvin Alberts
Marvin Alberts@malberts99·
Thank you for the invitation @drecmb! I had a great time giving a talk on Automated Structure Elucidation in Lausanne @SchwallerGroup!
Marvin Alberts tweet media
English
2
1
19
2K
Marvin Alberts
Marvin Alberts@malberts99·
Interested in Uncertainty Quantification for Sequence Prediction? Come check out our poster at @RealAAAI today. We add rigorous uncertainty quantification to Beam Search using Conformal Predictions! @nickgermann @IBMResearch
Marvin Alberts tweet media
English
1
12
26
2K
Marvin Alberts retweetledi
Oliver Schilter
Oliver Schilter@OSchilter·
Introducing Clipboard-to-SMILES Converter: a macOS app for effortless conversion of screenshots into molecular structures (SMILES, SELFIES, etc.) right from your clipboard, complete with a convenient history feature! Check out our paper and download it: doi.org/10.1002/ail2.91
English
6
60
271
22K
Marvin Alberts retweetledi
Nicolas Deutschmann
Nicolas Deutschmann@nickgermann·
Our paper got accepted at #AAAI24! 🎉 We propose two new sequence generation algorithms with "error bars", by adapting beam search to conformal predictions. If you use LLMs for science, like predicting molecules or proteins that verify some conditions, check it out!
Nicolas Deutschmann@nickgermann

Here's our preprint on conformal sequence generation! w/ @malberts99 @MariaRoCompBio arxiv.org/abs/2309.03797 Two new algorithms for sequence prediction sets with guarantees: - Conformal sub-beams: pruning standard beams - Conformal dynamic beams: step-by-step conformal decoding.

English
0
8
25
3.3K
Marvin Alberts retweetledi
Alessandra Toniato
Alessandra Toniato@AlessToniato·
How to better start Christmas than by defending your PhD? 😊🎄🎓🎉 A super interesting discussion yesterday at @ETH_DCHAB with @teodorolaino @kjelljorner Markus Reiher and Gunnar Jeschke Thanks to all the people that supported me in this journey !
Alessandra Toniato tweet media
English
8
5
33
2.1K
Marvin Alberts retweetledi
Jannis Born
Jannis Born@JannisBorn·
We're in 2nd half of #NeurIPS2023, but still much exciting research ahead!Thrilled to present some work from #AI4SD team @IBMResearch. Topics cover quantum computing, foundation models, optimal transport, digitization of lab workflows, language models in molecular design & more⬇️
English
1
7
21
1.5K
Marvin Alberts retweetledi
Andrés M Bran
Andrés M Bran@drecmb·
I'll be presenting our work on autonomous agents for chemistry #ChemCrow at the #AI4Science workshop this saturday, do not miss it! An amazing colab with @SamCox822 @andrewwhite01 @OSchilter @ x.com/drecmb/status/…
Andrés M Bran@drecmb

New version of ChemCrow out 🔥🔥 arxiv.org/abs/2304.05376 The LLM-powered chemistry assistant got major updates 💪 What's new? Robots synthesizing stuff, human/crow collaboration, novel molecules, safety, new evaluations + open source release! 🤩 See more 👇 1/8 #compchem

English
1
5
26
3.3K
Marvin Alberts retweetledi
Andrés M Bran
Andrés M Bran@drecmb·
So excited for this! Thank you @pschwllr for your words, this wouldnt have be possible without all your support and the awesome environment at the @SchwallerGroup! And ofc kudos to all the students for the amazing work! Super glad to learn so much from you too ❤️
Philippe Schwaller (he/him)@pschwllr

Super proud of Andrés (@drecmb), who received the Dean's Award 2022-23. Andrés is not only an excellent researcher but also mentored numerous project students in @SchwallerGroup (@EPFL_CHEM_Tweet). "demonstrating deep passion for teaching and mentoring students. ..." Congrats!

English
6
2
44
3.1K
Marvin Alberts retweetledi
Robert Palgrave
Robert Palgrave@Robert_Palgrave·
This exciting paper shows AI design of materials, robotic synthesis. 10s of new compounds in 17 days. But did they? This paper has very serious problems in materials characterisation. In my view it should never have got near publication. Hold on tight let's take a look 😱
Ceder Group@cedergroup

🚀 Exciting News! Our A-Lab has revolutionized inorganic materials discovery! Combining ab-initio calculations, historical data from literature, and robotic testing, we're rapidly uncovering new compounds. 🤖 nature.com/articles/s4158…

English
55
445
2.5K
2M
Marvin Alberts retweetledi
Alek Sobczyk
Alek Sobczyk@AleksandrosSob1·
We have a new preprint on DFT and eigenvalue algorithms: "Hermitian Pseudospectral Shattering, Cholesky, Hermitian Eigenvalues, and Density Functional Theory in Nearly Matrix Multiplication Time". Link to Arxiv: arxiv.org/abs/2311.10459
English
2
5
22
3.9K
Marvin Alberts retweetledi
Nina Hartrampf
Nina Hartrampf@NinaHartrampf·
📣 We have 3️⃣ open PhD positions in chemical protein synthesis on our SNSF Sinergia project „MYConnect“ 🧫🧪 Please apply as soon as possible via jobs.uzh.ch/offene-stellen… We look forward to exploring MYC phosphorylation with @ZerbeOliver and Linda Penn! Thank you @snsf_ch 🙏
UZH Chemistry@UZH_Chemistry

We are hiring 👋: @NinaHartrampf and @ZerbeOliver @UZH_Chemistry: chem.uzh.ch/de/study/these… for our new SNF Sinergia Projcet: MYConnect – deciphering phosphorylation-dependent MYC interactions in cancer biology

English
1
57
125
31.7K
Marvin Alberts
Marvin Alberts@malberts99·
Particularly exciting for reaction prediction, protein language modelling and structure prediction from spectra!
English
0
1
6
793
Marvin Alberts
Marvin Alberts@malberts99·
This is relevant for any problem where an autoregressive language model is tasked with generating an exact or approximately exact sequence. Our algorithm generates prediction sets with a guarantee (e.g. 99%) that the correct sequence is present in the set!
Marvin Alberts tweet media
English
1
1
6
3.4K

Keşfet

@ChemRxiv @Hartrampf_Lab @AlessToniato @IBMResearch @teodorolaino @drecmb @SchwallerGroup @liyucheng_2