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1. BE2 BE2 Public

   Compute Rotational Diffusion Tensor from 3D Atomic Coordinates using Boundary Element Method

   C

2. decode decode Public

   Decode NGS data from DNA-Encoded Library Screen

   C++ 8 6

3. eMF eMF Public

   Easy Model-Free Analysis of NMR Relaxation Data

   C++ 1 1

4. filter filter Public

   Remove/Select Compounds using Substructures and Descriptors

   Python 2 1

5. ligandprep ligandprep Public

   Ligands Preparation for Cheminformatics

   Jupyter Notebook

6. xpshape xpshape Public

   Simulate NMR eXchange Peak SHAPE using Bloch-McConnell Equation

   C