google-deepmind/ferminet
An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
PythonApache-2.0
Issues
- 0
Upstream breaking change in `kfac-jax`
#70 opened by gcassella - 7
Extension of PBC code to 1D
#63 opened by eliasteve - 2
kfac_jax error when running H2 example script
#69 opened by eliasteve - 2
- 2
Something went wrong in RepeatedDenseBlock.update_curvature_matrix_estimate
#67 opened by JustusvLiebig - 5
Issue on running pytest
#62 opened by SLZ0106 - 1
Evaluating logprob using batch_network in train
#61 opened by Baiyu-Su - 1
Question About load Checkpoint
#60 opened by ZiciuCanJustus - 3
About configs
#59 opened by qetuo2 - 1
nan when training with 'adam'
#57 opened by lzx0106 - 1
- 2
Ground State Energies
#51 opened by EyalRozenberg1 - 2
Question about pbc ewald part.
#52 opened by GiantElephant123 - 1
unable to setup
#46 opened by AndrewHo1998 - 13
how to reconstruct a ferminet?
#6 opened by ley61 - 2
- 1
- 1
- 1
Question about exact_cusp function
#38 opened by ley61 - 1
How does training time scale w.r.t. model size?
#41 opened by haydnv - 7
Installation Error
#39 opened by prayshah99 - 2
about the ferminet
#37 opened by KingDamLiu - 3
install eeror
#36 opened by KingDamLiu - 8
NaN during training
#22 opened by n-gao - 3
- 2
- 1
- 7
Variance of a converged model
#29 opened by n-gao - 5
Pretraining with `full_det=True`
#27 opened by n-gao - 8
- 8
KFAC Open sourcing
#24 opened by n-gao - 3
- 3
- 6
Issues (or typos?) when running JAX code with multiple GPUs
#16 opened by connection-on-fiber-bundles - 4
- 3
Does Adam Optimization depend on batch size?
#11 opened by fancunwei95 - 1
- 2
Error in set-up
#9 opened by ph7klw76 - 1
minimize depends on batch size?
#10 opened by fancunwei95 - 5
Questions about the convergence
#7 opened by ley61 - 1
- 2
problem about multi_gpu flag
#4 opened by ley61