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1. easydock easydock Public

   Fully automated docking pipeline (can be run in distributed environments)

   Python 53 16

2. crem-dock crem-dock Public

   CReM-dock: generation of chemically reasonable molecules guided by molecular docking

   Python 28 5

3. streamd streamd Public

   Fully automated high-throughput MD pipeline

   Python 86 16

4. ibenchmark ibenchmark Public

   Benchmark interpretation of QSAR models

   Jupyter Notebook 15 6

5. crem-pharm crem-pharm Public

   de novo generation of synthetically feasible structures matching a 3D pharmacopohre model

   Python 2