Pinned Loading

1. awesome-learning-digital-chemistry awesome-learning-digital-chemistry Public

   a curated list of resources for everyone interested in learning about digital chemistry

   50 4

2. coleygroup/ms-pred coleygroup/ms-pred Public

   Predicting tandem mass spectra from molecules

   Jupyter Notebook 158 40

3. LeMaterial/lematerial-llm-synthesis LeMaterial/lematerial-llm-synthesis Public

   An open-source multi-modal toolbox for extracting structured synthesis procedures and performance data from materials science literature at scale.

   Python 44 8

4. coleygroup/icicle coleygroup/icicle Public

   Fragment-Grounded Neural Simulation of EI-MS Spectra for Structure Elucidation at Library Scale

   Python 4 1