seyonechithrananda bert-loves-chemistry issues

seyonechithrananda / 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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issues

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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