- add utils.filter_max_ring_size function implemementing fragment filtration - add filter_func argument to all main functions to control fragment selection - change the delta value used in sample_csp3
0.2.13
- add sample_func argument to control fragment sampling and biasing the selection - add utils.sample_csp3 function implementing fragment selection biased by the fraction of sp3-carbon atoms
0.2.12
- add support of tab-delimited files with fragments and environments (useful if names/SMILES contain commas)
0.2.11
- add support of custom functions to filter fragments chosen for attachment/replacing - add an example how to implement and use filtering function to README - add an auxiliary function get_replacements
0.2.10
- fix to enable compatibility with python 3.11
0.2.9
- fix a lost molecule in output of grow and mutate