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thorben-frank
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mlff
Build neural networks for machine learning force fields with JAX
MIT License
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V1.0 elec bjdisp modules
#30
thorben-frank
closed
2 months ago
0
V1.0 elec bjdisp modules
#29
thorben-frank
closed
2 months ago
0
add long range indices to GeometryEmbedSparse
#28
thorben-frank
closed
5 months ago
0
Charge spin embedding
#27
thorben-frank
closed
6 months ago
0
add ITPNet
#26
thorben-frank
closed
6 months ago
0
error at the beginning of the training
#25
nimakt7192
opened
6 months ago
1
first draft for finetuning logic
#24
thorben-frank
closed
8 months ago
1
add capacity_multiplier to create_from_ckpt_dir method
#23
thorben-frank
closed
9 months ago
0
integrate ASE->jraph data loader for sparse neighborlists
#22
thorben-frank
closed
9 months ago
0
new dataloader
#21
kabylda
closed
9 months ago
1
Tunable Loss Weights
#20
Chenghao-Wu
opened
9 months ago
0
Rework ase calculator
#19
thorben-frank
closed
10 months ago
0
Restart training from checkpoint
#18
thorben-frank
closed
10 months ago
0
Run molecular dynamics with Jax-MD
#17
Chenghao-Wu
closed
3 months ago
4
Parallelisation
#16
yangjackie
opened
1 year ago
2
Energy repulsion
#15
thorben-frank
closed
1 year ago
0
Repeated degree support
#14
thorben-frank
closed
1 year ago
0
Remove jax-md and replace with glp
#13
sirmarcel
closed
1 year ago
0
allow to pass individual train and valid files
#12
thorben-frank
closed
1 year ago
0
Further Details on Non-Local Geometric Message Passing Implementation
#11
mouthful
closed
2 months ago
4
Checkpoint asynchronous dispatch
#10
thorben-frank
closed
1 year ago
0
Orbax migration
#9
thorben-frank
closed
1 year ago
0
So3kratace dev
#8
thorben-frank
closed
1 year ago
0
Pytorch version?
#7
shubbey
closed
1 year ago
6
Body order
#6
thorben-frank
closed
1 year ago
0
data limits?
#5
shubbey
closed
1 year ago
16
how do we load molecules of different sizes to train?
#4
shubbey
closed
1 year ago
1
Splitting training, test and validation data
#3
fabianjaeger1
closed
1 year ago
7
Fix package
#2
flokno
closed
1 year ago
0
Create LICENSE.md
#1
thorben-frank
closed
1 year ago
0