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`__promisify__` is a special name which is used to make TypeScript compiler happy for cases like
```typescript
import { writeFile } from "fs";
import { promisify } from "util";
// uses the `__…
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Request to include full capabilities for Reaction SMARTS in Minimallib. We wish to call function from Julia.
https://www.rdkit.org/docs/source/rdkit.Chem.rdChemReactions.html
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Discovered a few sharp corners when refreshing IREE docs; listing them here so @silvasean can do magic. :)
1) Right now `iree-tf-import` requires manually specifying the SavedModel version. If the …
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RDKit version :'2019.03.2'
Operating system: Ubuntu 18.04.3 LTS
-Python version: 3.7
- Are you using conda?: No
Hi sorry to bother you, I don't know if this is an actual issue or if I am doing som…
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Currently we rely on OpenBabel to parse the SMARTS and give us the atoms of the corresponding fragments. We should also make an effort to support other APIs such as RDKit.
There is some code availa…
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Current Lee Crippen pka calculator implementation in Indigo 1.8.x doesn't return the pka values published at the original publication. In some cases the published smarts queries doesn't give the same …
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**Steps to Reproduce**
1. Call API POST /v2/indigo/convert with [Payload](https://github.com/epam/Indigo/files/9526889/Ketcher555.txt)
**How to reproduce in Ketcher**
0. Launch Ketcher in remot…
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## **BUG REPORT**
**High Level Description**
By the problems that ULTRA team were having, pytest has stability issues running tests without forked. Tests with forked take a much longer time to run. …
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As a DM I would like to have a npc assistant build similar to thr current character assistant builder.
This can provide a new view to help gms to build new creatures and npcs.
It can start askin…
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I'd like to see what position each atom of the reagents take in the product, i.e. map atom numbers in reagents and the product to ones in the reaction SMARTs string
for example rxn = RunReactants ('…
XFaIT updated
5 months ago