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chainer
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chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
MIT License
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Add tests for GWM
#329
corochann
closed
5 years ago
0
Fix RelGAT Update test
#328
mottodora
closed
5 years ago
0
Change tolerance in RSGCN test
#327
mottodora
closed
5 years ago
0
fix gpu tests for ggnnupdate
#326
corochann
closed
5 years ago
0
support standardscaler device>=0
#325
corochann
closed
5 years ago
0
Fix R2 Score Evaluator test in gpu
#324
mottodora
closed
5 years ago
1
Fix R2 score test in gpu
#323
mottodora
closed
5 years ago
1
version 0.5.0
#322
natsukium
closed
5 years ago
1
Graph Warp Module for Chainer Chemistry
#321
k-ishiguro
closed
5 years ago
5
fix docstring
#320
corochann
closed
5 years ago
2
train_valid_split sometime fails.
#319
corochann
opened
5 years ago
0
Flow Scaler
#318
YoshikawaMasashi
closed
5 years ago
2
Move GraphConvPredictor to Library
#317
natsukium
closed
5 years ago
3
use mlp for relgcn
#316
corochann
closed
5 years ago
2
evaluate relgat in QM9
#315
corochann
closed
5 years ago
1
plot result for each label separately
#314
corochann
closed
5 years ago
3
Fix makedirs for python2
#313
mottodora
closed
5 years ago
1
Implement MPNN model
#312
natsukium
closed
5 years ago
3
[wip] Inputsize invariant dev2
#311
corochann
opened
5 years ago
1
Fix standard scaling qm9
#310
corochann
closed
5 years ago
2
Standard scaler link
#309
corochann
closed
5 years ago
1
[WIP] Inputsize invariant dev
#308
corochann
opened
5 years ago
3
Ggnnpreprocessor return is real node
#307
corochann
closed
5 years ago
2
softmax with mask
#306
corochann
closed
5 years ago
1
refactor general readout: move to links.
#305
corochann
closed
5 years ago
4
Why does GPU usage so low?
#304
Dinxin
opened
5 years ago
1
json utils for save/load json with numpy array
#303
corochann
closed
5 years ago
2
fix to relgat
#302
corochann
closed
5 years ago
1
Follow Chainer's Coding Guideline
#301
natsukium
closed
5 years ago
1
MPNN implementation
#300
Dinxin
closed
5 years ago
2
Fix Relational GAT example
#299
mottodora
closed
5 years ago
1
Nfppreprocessor return is real node
#298
corochann
closed
5 years ago
4
GGNN input size invariant: add is_real_node argument
#297
corochann
closed
5 years ago
3
NFP input size invariant: add is_real_node argument
#296
corochann
closed
5 years ago
1
Graph mlp
#295
corochann
closed
5 years ago
2
change num_edge_type to be argument
#294
corochann
closed
5 years ago
0
add activation_agg
#293
corochann
closed
5 years ago
3
Fix ggnn
#292
natsukium
closed
5 years ago
3
bug fix: consider the case when metrics returns non-Variable case.
#291
corochann
closed
5 years ago
3
consider module name for update/graph_conv
#290
corochann
opened
5 years ago
0
[bug] qm9 test_example.sh fails
#289
corochann
closed
5 years ago
0
GGNN refactoring
#288
corochann
closed
5 years ago
1
optimization is not executed in SchNetPreprocessor
#287
corochann
opened
5 years ago
0
bugfix: return visualized svg for SmilesVisualizer
#286
corochann
closed
5 years ago
1
take auto sum when output_var.size is not 1.
#285
corochann
closed
5 years ago
5
improve plot
#284
corochann
closed
5 years ago
1
Saliency
#283
corochann
closed
5 years ago
4
Report metrics as scalars
#282
mihaimorariu
closed
5 years ago
1
Report metrics as scalars
#281
mihaimorariu
closed
4 years ago
0
Rename `device_id` inside `BaseForwardModel`
#280
mihaimorariu
closed
5 years ago
1
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