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MolecularAI
/
aizynthfinder
A tool for retrosynthetic planning
https://molecularai.github.io/aizynthfinder/
MIT License
571
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130
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Apple Silicon
#65
drc007
closed
2 years ago
2
Bump pytorch-lightning from 1.5.10 to 1.6.0
#64
dependabot[bot]
closed
2 years ago
2
pandas warning
#63
drc007
closed
2 years ago
2
Bump notebook from 6.4.8 to 6.4.10
#62
dependabot[bot]
closed
2 years ago
1
Simple Environment?
#61
vthost
closed
2 years ago
2
Adding pytables to yaml files. Update aizynth version
#60
SGenheden
closed
2 years ago
1
Pytables Dependency Issue on Windows 11
#59
masyost
closed
2 years ago
3
Conda Environment YML Points to Old Version of Code
#58
masyost
closed
2 years ago
0
issue with importing from markupsafe
#57
jtd1g16
closed
2 years ago
1
Bump tensorflow from 2.7.0 to 2.8.0
#56
dependabot[bot]
closed
2 years ago
1
Bump tensorflow from 2.7.0 to 2.7.1
#55
dependabot[bot]
closed
2 years ago
2
Update README.md
#54
EBjerrum
closed
2 years ago
1
Bump ipython from 7.30.1 to 7.31.1
#53
dependabot[bot]
closed
2 years ago
0
could you provide the template applicability filter policy to help speed up the search time?
#52
queliyong
closed
2 years ago
4
Bump pillow from 8.4.0 to 9.0.0
#51
dependabot[bot]
closed
2 years ago
1
how to set the atom occurrences limitations correctly
#50
queliyong
closed
2 years ago
2
Incorparate AiZynthFinder in to own python script
#49
pythonnewbie3
closed
2 years ago
4
uspto_model.hdf5 is missing in the fileshare
#48
jsooriya
closed
2 years ago
3
Route starts to cycle when run search complicated target compound.
#47
queliyong
closed
2 years ago
2
ModuleNotFoundError: No module named 'route_distances'
#46
dd1github
closed
2 years ago
4
Install instructions lead to installing old version
#45
5trigen
closed
2 years ago
1
Solution to issue #42. Add filter for reactants count.
#44
SGenheden
closed
2 years ago
0
Python kernel do not launch in Jupyter
#43
mo-be
closed
3 years ago
2
Issue with template application
#42
dvidmon
closed
2 years ago
14
How to train a reaction involving two simultaneous reaction steps?
#41
queliyong
closed
3 years ago
2
Can Tree Search run on GPU?
#40
queliyong
closed
3 years ago
4
Can Tree Search run on GPU?
#39
queliyong
closed
3 years ago
0
Molecule with difficulties
#38
pkrezel
closed
3 years ago
9
ImportError: DLL load failed while importing win32api: The specified program could not be found
#37
queliyong
closed
3 years ago
2
AttributeError: 'str' object has no attribute 'items'
#36
Zbless
closed
3 years ago
2
AttributeError: 'str' object has no attribute 'items' happened,when
#35
Zbless
closed
3 years ago
0
CUDA warnings when running aizynthcli (previously known as: The batch mode doesn't work.)
#34
pkrezel
closed
3 years ago
2
ValueError: Atomic identity should not change in a reaction!
#33
queliyong
closed
3 years ago
4
How to get the Reaxys data to retrain aizynthfinder?
#32
queliyong
closed
3 years ago
2
Could not Reorder by 'Sum of prices' in the GUI?
#31
queliyong
closed
3 years ago
2
ImportError: dlopen: cannot load any more object with static TLS
#30
lukasfriedrich91
closed
3 years ago
3
Compounds to Procure doesn't shown
#29
ys0123
closed
3 years ago
5
'preprocess_expansion config.yml' command can not create a file that ends with unique_templates.hdf5
#28
queliyong
closed
3 years ago
4
Are there any detailed instructions to get those trained policy network from scratch?
#27
queliyong
closed
3 years ago
1
Add automated testing support
#26
0x2b3bfa0
closed
3 years ago
2
Automate documentation generation
#25
0x2b3bfa0
closed
3 years ago
1
Update download_public_data test case
#24
0x2b3bfa0
closed
3 years ago
0
Long-term binary artifact storage
#23
0x2b3bfa0
closed
3 years ago
6
Search procedure stuck
#22
xiamr
closed
3 years ago
3
Migrate to Poetry+Conda
#21
0x2b3bfa0
closed
3 years ago
5
DeepChem
#20
0x2b3bfa0
closed
3 years ago
3
Hard dependency on anaconda
#19
0x2b3bfa0
closed
3 years ago
5
Remove the tensorflow-gpu mention
#18
0x2b3bfa0
closed
3 years ago
2
Create CITATION.cff
#17
0x2b3bfa0
closed
3 years ago
2
Add notebook for Google Colaboratory
#16
0x2b3bfa0
closed
3 years ago
8
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