ISOKANN v1.1.0
Merged pull requests:
Closed issues:
- IsoForce seems to be bugged for T != 1 (#3)
- replace vec_to_coords by reinterpret (#5)
- Girsanov for Overdamped Langevin (#6)
- Alignment of molecules (#8)
- VGV adaptive sampling (#12)
- Clean up MOR (#13)
- Release 1.0 (#17)
- Change default parameters (#27)
- New Features systems (#28)
- Validation loss logger (#30)
- Saving and Loading state / OpenMMSimulation (#31)
- getxs, getcoords etc. inconsistencies (#39)
- Reactive Path uses unaligned distances (#41)
- Alignment is not working properly (#43)