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1. SEER SEER Public

   Gas phase molecular charge state predictor

   Jupyter Notebook 3

2. peas peas Public

   A user-friendly application for precise conformation sampling

   Jupyter Notebook 4

3. CCS_Focusing CCS_Focusing Public

   Knowledge-based conformation filtering using collision cross section prediction

   Python 2

4. AGENTi AGENTi Public

   High throughput a priori ionization product divergence screening

   Jupyter Notebook

5. QRxVision QRxVision Public

   Transfer learning computer vision for domain-specific drug-kinase assignment

   Python