Comments (1)
We still have the data subsampling in there. This should probably be handled by a DataLoader like data wrapper.
Other then that (and adaptive samplign) theres nothing else left there.
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Related Issues (20)
- IsoForce seems to be bugged for T != 1 HOT 1
- Save momentum in Langevin simulations HOT 2
- replace vec_to_coords by reinterpret
- Girsanov for Overdamped Langevin HOT 1
- Change ys dimensions as to reflect batch in last dimension?
- Alignment of molecules
- Example / Tests HOT 1
- Clean up VGV HOT 2
- Look into save_reactive_coord HOT 1
- VGV adaptive sampling
- Clean up MOR HOT 1
- add SimulationData type HOT 3
- Move Molly support to Extension
- Release 1.0
- Switch to PythonCall.jl
- Define the IsoSimulation interface
- pairwise distance feature cutoff parameter HOT 1
- Convergence metric via adaptive sample distribution
- TagBot trigger issue HOT 1
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