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98 files changed
+1
-54
lines changed- app
- base
- datadebug
- data
- dict
- isomorphism
- reaction
- silent
- test-atomtype
- test-core
- test-standard
- test-valencycheck
- test
- src/main/java/org/openscience/cdk
- atomtype
- fingerprint
- interfaces
- io
- qsar/descriptors
- tools
- descriptor
- cip
- fingerprint
- qsaratomic
- qsarbond
- qsarcml
- qsarmolecular
- qsarprotein
- qsarsubstance
- qsar
- signature
- display/render
- legacy
- misc
- log4j
- test-extra
- storage
- ctab
- inchi
- ioformats
- iordf
- io
- libiocml
- libiomd
- pdbcml
- pdb
- smiles
- tool
- builder3d
- charges
- forcefield
- formula
- fragment
- group
- model
- sdg
- smarts
- structgen
- tautomer
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