RXN for Chemistry @ForRxn

Account for news and general info on the freely available AI platform made by #compchem chemists for #organic chemists. Try it today. 👩‍🔬👨‍🔬⚗️🧪 rxn.res.ibm.com Rueschlikon, Switzerland Joined November 2018

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RXN for Chemistry @ForRxn

2 years ago

Our latest work in @ACSCentSci on steering retrosynthesis predictions using #NLP has been highlighted by @OPRD_ACS We empower chemists by enabling them to select disconections, leading to more diverse outputs. Try the automated retrosynthesis function👇 rxn.res.ibm.com

Amol Thakkar @av_thakkar

2 years ago

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Amol Thakkar @av_thakkar

2 years ago

We published "Unbiasing Retrosynthesis Language Models with Disconnection Prompts" in @ACSCentSci paper: pubs.acs.org/doi/10.1021/ac… code: github.com/rxn4chemistry/… Let's dive in! #compchem #MachineLearning #Chemistry #chemtwitter @ForRxn

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Alain Vaucher @acvaucher

2 years ago

I'll be there in person with @anuvco and @MirunaCretu2. Feel free to reach out if you'd like to chat! (3/3)

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Alain Vaucher @acvaucher

2 years ago

The talks will be presented by myself, @YvesGNT, @drugilsberg, @anuvco, @MirunaCretu2, @av_thakkar, @FedericoZipoli, and @AleksandrosSob1 (2/3).

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Alain Vaucher @acvaucher

2 years ago

If you're at #ACSSpring2023 next week, consider attending some of the talks from our team! We will be presenting some of the work done at IBM Research Europe in the space of AI and chemistry. Here are the talk details: ibm.biz/acs-spring-2023 (1/3)

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Alessandra Toniato @AlessToniato

3 years ago

Our preprint on retrosynthesis models with boosted diversity is out! preprint: openreview.net/forum?id=Bmk_G… Check out the code at: github.com/rxn4chemistry/… . Open-source models are also available! 🙌 @acvaucher @pschwllr @teodorolaino #compchem #MachineLearning #Chemistry @ForRxn

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Amol Thakkar @av_thakkar

3 years ago

This week we released "Unbiasing Retrosynthesis Language Models with Disconnection Prompts" pre-print: chemrxiv.org/engage/chemrxi… code: github.com/rxn4chemistry/… Let's dive in! Thread 🧵 #compchem #MachineLearning #Chemistry #chemtwitter @ForRxn

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Teodoro Laino @teodorolaino

3 years ago

The @SwissChemistry Science Night was stunning. @IBMResearch was awarded with the Sandmeyer Prize for the multi-years efforts in digitalizing chemistry. It took sweat, determination and hard work: kudos to all of you friends. I am privileged to work with you. Who’s who ? 1/2

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Karl Gademann @KarlGademann

3 years ago

And congrats to the @IBMResearch team for winning the Sandmeyer prize @SwissChemistry @pschwllr @teodorolaino @acvaucher @skepteis and colleagues. You rock! @ForRxn

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Teodoro Laino @teodorolaino

3 years ago

On 08.24 at 10:20, our own Alain Vaucher (@acvaucher) will present "Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry" in collaboration with @thiemechemistry @SOSchem 7/8

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Teodoro Laino @teodorolaino

3 years ago

On 08.24 at 09:40 CDT, Jannis Born (@JannisBorn) will present "Guiding multistep retrosynthesis planning with continuous pathway representations". @FedericoZipoli and Jannis did a THING: a string method for chemical reactions to create human grade retrosynthesis. Bar rises. 6/8

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Teodoro Laino @teodorolaino

3 years ago

On 08.24 at 08:25 CDT, Amol Thakkar (@av_thakkar) will present "Augmented disconnection aware retrosynthesis to facilitate user interaction". Don't miss this talk, if you are curious to see the latest performance improvements in retrosynthesis in @ForRxn. 5/8