add shed file

Author: simonbray

chemicaltoolbox/shcoeffs/.shed.yml

@@ -0,0 +1,15 @@
+categories:
+- Computational chemistry
+description: Generate 3D descriptors for a ligand conformer
+long_description: |
+    Generate 3D descriptors for a ligand conformer, based on predicting
+    the electrostatic potential (ESP) using a deep neural network, and
+    computing spherical harmonic coefficients.
+    
+homepage_url: https://github.com/rwmontalvao/SHCoeffsDev
+name: shcoeffs
+owner: bgruening
+remote_repository_url: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/shcoeffs/
+type: unrestricted
+maintainers:
+  - simonbray