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chao1224
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MoleculeSTM
Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)
https://chao1224.github.io/MoleculeSTM
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Molecular Property Prediction giving `train: 0.000000` in every epoch
#28
MohdOwais22
opened
2 days ago
0
How can I reproduce the results of the Graph modality in the structure-text retrieval experiment?
#27
chenjinyu0723
opened
2 weeks ago
0
demos
#26
xiaorandu
opened
2 months ago
2
Where is CID2text.json file?
#25
xiaorandu
opened
2 months ago
2
About mol_to_graph_data_obj_simple functions
#24
lhkhiem28
opened
2 months ago
2
Not getting expected results for zero-shot molecule editing
#23
gihanpanapitiya
opened
3 months ago
2
Current conda environment setup instructions do not work
#22
amelie-iska
opened
4 months ago
3
Docker Failed (RDKit)
#21
amelie-iska
opened
4 months ago
3
wget returns empty zip dictionary for MegaMolBART checkpoints
#20
cankobanz
closed
4 months ago
4
[Understanding] For a beginner or amateur
#19
mahimairaja
opened
5 months ago
1
RuntimeError: RNG state is wrong size
#18
Lzcstan
closed
3 months ago
4
Processing ".cif" file.
#17
Sharpiless
closed
5 months ago
1
How can I reproduce the results from the article?
#16
yxliu0907
opened
6 months ago
10
Docker ERROR: failed to receive status: rpc error
#15
cankobanz
closed
5 months ago
1
OSError: _ZN5torch3jit17parseSchemaOrNameERKSs
#14
Msornerrrr
closed
6 months ago
2
AssertionError in step 1 in preprocessing
#13
toooooodo
closed
6 months ago
2
Update Checkpoints
#12
chao1224
closed
6 months ago
0
Clean ups
#11
chao1224
closed
6 months ago
0
Unexpected key(s) in state_dict: "embeddings.position_ids"
#10
ZwormZ
closed
4 months ago
3
How to solve this
#9
yxliu0907
closed
6 months ago
4
How do I get the latest "CID2SMILES.csv" data file
#8
Greay83
closed
6 months ago
2
file missing
#7
Nireus-lgx
closed
6 months ago
2
Toy Checkpoints for MoleculeSTM
#6
Greay83
closed
7 months ago
2
4.3 Downstream: Zero-shot Text-based Molecule Editing
#5
cyz-32526
closed
7 months ago
2
Hyperparameters for pre-training
#4
Humanoid-z
closed
5 months ago
3
pytorch=1.9.1, pyg==2.0.3, PackagesNotFoundError
#3
Greay83
closed
8 months ago
5
Missing downsload_MegaBolBART.sh
#2
ZwormZ
closed
9 months ago
3
Code available?
#1
ghost
closed
10 months ago
5