136 citations · 179 across the 3 of their papers we have counts for
3 papers
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
Marvin Alberts, Oliver Schilter, Federico Zipoli +2
Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spec…
ChemCrow: Augmenting large-language models with chemistry tools
Andres M Bran, Sam Cox, Oliver Schilter +3
Over the last decades, excellent computational chemistry tools have been developed. Integrating them into a single platform with enhanced accessibility could help reaching their fu…
Accelerating Material Design with the Generative Toolkit for Scientific Discovery
Matteo Manica, Jannis Born, Joris Cadow +21
With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful represe…