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seyonechithrananda
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bert-loves-chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
MIT License
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Tokenize incorrect when getting pretrianed feature
#60
Chris-Tang6
opened
9 months ago
2
Question about chirality and model results from paper
#59
kosonocky
opened
1 year ago
0
Getting SMILES Vector in Pretrained ChemBERTa Model
#58
ilkersigirci
closed
10 months ago
1
RuntimeError: Found dtype Double but expected Float
#57
mapengsen
opened
1 year ago
3
docs: demo, experiments and live inference API on Tiyaro
#56
ijonglin
opened
1 year ago
0
Details about curating pubchem dataset
#55
taew0361
opened
2 years ago
0
Using rawtext
#54
RoryGarlandGlam
closed
2 years ago
1
notebooks for evaluating finetuning and pretrain scaling
#53
ElanaPearl
closed
2 years ago
0
Updating Tutorial Link
#52
rbharath
closed
2 years ago
0
add delete flag to s3 upload
#51
walid0925
closed
2 years ago
0
Finetune non final ckpts
#50
ElanaPearl
opened
2 years ago
0
space issues when finetuning
#49
ElanaPearl
closed
2 years ago
0
migrate ft utility functions
#48
walid0925
closed
2 years ago
0
more code for pretraining and finetuning
#47
walid0925
closed
3 years ago
0
Customization and cleaning
#46
ElanaPearl
closed
3 years ago
0
finetune with freezing
#45
walid0925
closed
3 years ago
0
updated environment, fix float issue
#44
walid0925
closed
3 years ago
0
added float typing
#43
ElanaPearl
closed
3 years ago
1
added support for multiclass classification
#42
ElanaPearl
closed
3 years ago
0
fixed pruning so doesnt break when training from scratch
#41
ElanaPearl
closed
3 years ago
0
Add ability to train on MolNet from scratch (without pretraining)
#40
gabegrand
closed
3 years ago
0
made overwrite output dir actually get used
#39
ElanaPearl
closed
3 years ago
0
only prune state dict if exists
#38
ElanaPearl
closed
3 years ago
0
Csv finetune
#37
ElanaPearl
closed
3 years ago
0
change tanh to relu for regression
#36
walid0925
closed
3 years ago
0
fix regression ft
#35
walid0925
closed
3 years ago
0
Finetune with pretrained models from HuggingFace Model Hub
#34
gabegrand
closed
3 years ago
0
add methods for generating embeddings
#33
schithranandanurix
closed
3 years ago
0
fixed classification issue; added gitignore
#32
walid0925
closed
3 years ago
0
Regression text dataset
#31
ElanaPearl
closed
3 years ago
0
Finetune on multiple datasets
#30
gabegrand
closed
3 years ago
0
hp search
#29
walid0925
closed
3 years ago
2
New HuggingFace MolNet finetuning script
#28
gabegrand
closed
3 years ago
0
LazyRegressionDataset, compute_norms.py, and fix to loaders
#27
gabegrand
closed
3 years ago
0
Umap
#26
seyonechithrananda
closed
3 years ago
0
Umap notebook for mtg
#25
seyonechithrananda
closed
3 years ago
0
dataset can now handle a list of files
#24
ElanaPearl
closed
3 years ago
0
added in ability to clean nones and nans on the fly
#23
ElanaPearl
closed
3 years ago
0
Increase default vocab_size
#22
gabegrand
closed
3 years ago
0
Path issues
#21
ElanaPearl
closed
3 years ago
0
normalization values are now read from the cache not from the dataset
#20
ElanaPearl
closed
3 years ago
0
Lazy loading
#19
ElanaPearl
closed
3 years ago
0
Organize training code
#18
ElanaPearl
closed
3 years ago
0
Description of Models on Huggingface
#17
TKassis
opened
3 years ago
1
Updates to MLM script
#16
gabegrand
closed
3 years ago
0
Gpu and normalization fixes
#15
ElanaPearl
closed
3 years ago
0
Elana/multitask gpu
#14
ElanaPearl
closed
3 years ago
0
Add load_best_model_at_end=True
#13
gabegrand
closed
3 years ago
0
Improvements to MLM script
#12
gabegrand
closed
3 years ago
0
Multitask regression
#11
ElanaPearl
closed
3 years ago
2
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