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Commit History

Author SHA1 Message Date
  JonStargaryen 58e0ba016e rename to atoms/chem_comp and bonds/chem_comp 4 years ago
  JonStargaryen 73ada6b1f1 rewire mol/sdf 4 years ago
  JonStargaryen 4f2cee3b56 introduce map, ditch getLabel 4 years ago
  JonStargaryen 78c9dda257 wip sybyl 4 years ago
  JonStargaryen 48d0418f0e mol writing with inline charges and chiral flag 4 years ago
  JonStargaryen e39c7c4e98 move encoders to mol-io 4 years ago