- fix a lost molecule in output of grow and mutate
0.2.8
- add link to crem.imtm.cz to README - change default separator in fragmentation.py to tab - fix description of arguments for grow_mol - fix output of molecules identical to the input structure
0.2.7
- add to mutate and grow functions treatment of topologically equivalent atoms
0.2.6
- add a module to enumerate compounds based on a seed molecules using scaffold or analog modes
0.2.5
- x2 code speed up - fix pickling mol properties in multiprocessing - add a tutorial on machine learning and CReM