- [x] Swap date and name in the folder name - [x] handle IDs with underscore - [x] remove unnecessary variables `atom_list` and `num_atoms`in https://github.com/isayevlab/Auto3D_pkg/blob/3e685283db73c89d1fb87f141042d6803564fe49/src/Auto3D/isomer_engine.py#L156
2.1.0
support SDF input Enumerate SDF using RDKit; Enumerate SDF using Omega.
2.0.1
- Replace OpenBabel with RDKit to be compatible with more platforms; - Optimize a few details.