Recent Releases of com.github.javadev
com.github.javadev - Version 1.8
- Fixed the multithread issue in the V1.7.
- Fixed the valences issue on SMILES and SDF outputs.
- Added -h option as requested in the enhancement.
- Added new SDFWriter class based on CDK.
- Replaced SDF and SMILES functions with CDK functions.
- Added fuzzy formula functions
- Added new tests
- Java
Published by MehmetAzizYirik almost 5 years ago
com.github.javadev - Version 1.7
- Added --sdfCoord option for SDF with atom coordinates
- Replaced SDF functions with CDK SDFWriter
- Reformated the code
- Java
Published by MehmetAzizYirik almost 5 years ago
com.github.javadev - Version 1.6
- Added SMILES functions
- Updated SMILES and SDF output formats
- Cleaned code
- Java
Published by MehmetAzizYirik almost 5 years ago
com.github.javadev - Version 1.5
- Added the multithreading option.
- Fixed the SDFwriter issue.
- Updated readme and source code for -tsv and -m.
- Java
Published by MehmetAzizYirik almost 5 years ago
com.github.javadev - Version 1.4
- Added the OnSm function for the case of formulae including only oxygens and sulfurs.
- Cleaned and optimized MAYGEN
- Updated SDF writer function
- Java
Published by MehmetAzizYirik about 5 years ago
com.github.javadev - Version 1.3
Some optimizations on V1.2:
- Tuning and optimization on MAYGEN V1.2, especially with partitions and permutations.
- The issue with molecular formulae with less than 3 atoms is solved.
- For SDF, the CDK functions are replaced with a new write3SDF function.
- Java
Published by MehmetAzizYirik about 5 years ago
com.github.javadev - Version 1.2
Some updates after Version 1.1:
Updated formula reader. Now it can also run with formulas including 0 such as C0N0O3H2
Updated canBuildGraph function for early uneven degree sum recognition such as C5N2O5H1
Cleaned MAYGEN class.
Decreased number of tests in test class.Will update it again later.
- Java
Published by MehmetAzizYirik about 5 years ago
com.github.javadev - Version 1.1
The algorithm is optimized by re-ordering the atom partitions.
- Java
Published by MehmetAzizYirik about 5 years ago