Pinned

1. dmol-book Public

   Deep learning for molecules and materials book

   Jupyter Notebook 463 94

2. symd Public

   N-Dimensional MD engine with symmetry group constraints

   Jupyter Notebook 37 3

3. molcloud Public

   Make a bunch of molecules

   Python 76 10

4. molbloom Public

   Molecular bloom filter tool

   Python 35 2

5. emoji-chem Public

   🥳emojis in chemistry⚗️🥳

   Jupyter Notebook 18 1

6. paper-qa Public

   LLM Chain for answering questions from documents with citations

   Python 496 39