xchem/fragalysis

Issues

• Publish action is broken

  #45 opened 10 months ago
  0

• network_utils import typo rdFMCS

  #43 opened a year ago
  1

• IndexError: list index out of range (frag/network/decorate.py:225)

  #40 opened 2 years ago
  0

• Decharge molecule on query of graph database.

  #15 opened 6 years ago
  0

• Molecule selection and hypothesis tracking app

  #10 opened 6 years ago
  0

• Annotate substiuents based on number of substitutions

  #9 opened 6 years ago
  0

• Order returned molecules

  #8 opened 6 years ago
  1

• Work out simple deletions from fragment

  #7 opened 7 years ago
  0

• Find ligands that open up new nodes (and dock / model)

  #6 opened 6 years ago
  1

• Work out atom indices for replaced portions.

  #5 opened 6 years ago
  0

• Storing information from NGL about view

  #4 opened 6 years ago
  1

• neo4j -> postgresql porting.

  #3 opened 6 years ago
  0

• Work out whether Isomeric Smiles are needed in all cases.

  #2 opened 6 years ago
  0

• Add number of H-bond donors / acceptors in astex frag network.

  #1 opened 6 years ago
  0