Thorsten Gressling

CEO and Founder of | Chemistry for AI

[Thorsten Gressling @Gressling]

Chemistry for Genesis: https://t.co/oQTp43cW9K transforms chemistry into an AI-ready operating system- the perfect match for the Genesis Mission’s vision of autonomous scientific discovery. https://t.co/rvrKgdpCBB

[paramus.ai @paramus_ai]

https://t.co/f54gH6kOhM - AI for Chemistry - now supports ~1300 skills from ~70 software packages. Access the world of chemistry from your AI agent! Cloud or local (on-prem). https://t.co/y4Pyoad7Km

[paramus.ai @paramus_ai]

1,000+ chemistry tools. Same calculation. Different answers.
GROMACS vs LAMMPS vs OpenMM don't even agree on what "converged" means. Others give you different geometries for the same molecule.

We're building Tool Triage: let the AI pick the right solver.

https://t.co/gFnrchj6Tb

[paramus.ai @paramus_ai]

Commercializing AI agents is 1,000%–10,000% harder than building a prototype.

After months shipping agentic chemistry: multi-agent is overrated, ~1,000 tools in one framework wins, and scientists can't handle API keys.

https://t.co/GBrybECRwV

[paramus.ai @paramus_ai]

We are happy to have a new product: Paramus Brain is a unified multi-model AI platform that accelerates computational chemistry and materials science, including AI models from AIMNet2, Microsoft MatterSim and MatterGen, IBM FM2M. https://t.co/K9J6hKb05R

[Thorsten Gressling @Gressling]

@paramus_ai Happy about that! We start to get attention

[Thorsten Gressling @Gressling]

@muller_group Wenn ich das gewusst hätte - sie gerne auf einen Kaffee getroffen. Ich habe bei ihrem Vater promoviert. Vielleicht sehen wir uns in Washington im August.

[Thorsten Gressling @Gressling]

LLMs can be considered as a 'subsymbolic datastore' where prompts are the 'query language'. Beside the excellent compression rate for the content this 'subsymbolic database system' always gives an answer - even if the information is not complete.

[Thorsten Gressling @Gressling]

Mixed Integer Programming is important for yield and cost optimization. This code solves a problem for a chemistry production scenario: It minimizes production costs while meeting demand and resource constraints, ensuring both processes are used by incorporating fixed costs, binary variables, and minimum production constraints: https://t.co/GrwTod0WRY #gressling_coding_chemistry

[Thorsten Gressling @Gressling]

Attended “L2M3: Large Language Models for Materials and Molecules” workshop at CECAM, Lausanne. Presented @BayerPharma Process Chemistry's journey with GPT systems, exploring generative AI in Chemistry.

Our focus: CMC (Chemistry, Manufacturing, Controls) implemntations of 'fourth-gen AI' - how I call it. LLMs now bring real value like impact the 'Lab of the Future'.

Academia-industry collaboration is essential, bridging research and practical application. #AI #Chemistry #Innovation #LLM

[Thorsten Gressling @Gressling]

Happy that the broaden concept of 'Digital Chemistry' is now shared by more and more scientists, I found a preprint from Stefan Bräse "Digital Chemistry: Navigating the Confluence of Computation and Experimentation – Definition, Status Quo, and Future Perspective"

[Thorsten Gressling @Gressling]

@Starlink @elonmusk how about open my Starlink to other Starlink owners for free when they are nearby

[Thorsten Gressling @Gressling]

As a wanderer between worlds, your mission applies to both worlds

[Thorsten Gressling @Gressling]

Because communication patterns dramatically change we have new possibilities for science and publication. I never gave my autochemistry paper into peer review and publication just because of time. In the industrial context clocks ticking differently. https://t.co/8TTsmMM0Ra

[Thorsten Gressling @Gressling]

Paper accepted, see you at ACS Conference in Dallas! "Enhancing cross-disciplinary education: A comprehensive open-source suite for cheminformatics and AI”

[Thorsten Gressling @Gressling]

@elonmusk why not Dojo for Grok?

[Thorsten Gressling @Gressling]

Seems I predicted the current development of AI in chemistry many years ago in my paper 'Autochemistry' https://t.co/uMzjfnuu0Y

[Thorsten Gressling @Gressling]

For successful transformation you have to be part of the department or organization. From the outside they don't believe you.

[Thorsten Gressling @Gressling]

The only way to measure success of transformation is that the tangible visionary product becomes reality like the iPhone or the power loom