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Description:
Update order status
Enable Arabic language support for the biz
Enable platform: Talabat, Deliveroo, Careem, Noonfood,Cari, Smiles,
Biz Name: Lokmat Baladna - Foodics UAE upfront
B…
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I prepared train, valid, and test files (as .csv and .txt)
when I run the following code:
!python binarize_smiles.py --data C:\Users\onsky\Jupyter_notebook\SMILES-BERT-master\SMILES-BERT-master\P…
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**Describe the bug**
When performing a Maximum Common Substructure (MCS) calculation using RDKit's `rdFMCS.FindMCS` on two specific molecules, I observed excessive memory consumption that seems unrea…
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# RDKit blog - Searching with generic groups
Using generics to get more specific
[https://greglandrum.github.io/rdkit-blog/posts/2022-04-05-searching-with-generic-groups.html](https://greglandrum.gi…
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DatabaseError related to thermo parameter estimation for fluorine-containing molecules in RMG-Py. Specifically, the error message is:
DatabaseError: Unable to determine thermo parameters for atom {'*…
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enable the generation of 3D geometries from SMILES and InChIs (e.g. using Openbabel or RDkit) to visualize
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I have a issue with python cg_param_m3.py "CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CC…
550cw updated
5 hours ago
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In chebi.owl file there are 7 annotation properties in ChEBI namespace, and they all have only type defined:
```
…
hricd updated
3 weeks ago
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> I have tested the database with a simple search (smiles code: OB(O)C1=CC=CC=C1). If the search mode is exact, everything is fine, however, if I choose substructure or similar, I obtain a "502 Bad Ga…
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Sometimes it is convenient to exchange molecules in JSON format rather than SMILES or `.sdf` files. Fortunately, `rdChem.Mol` JSON is already implemented in `rdkit.Chem.rdMolInterchange.MolsToJSON` a…