-
[Errno 2] No such file or directory: '../envs/smarts/smarts_scenarios/left_turn'
-
Something i've wanted for some time is the ability to make an issue tracker (dashboard, whatever...) carry metadata about each comment tracked that can be used to automatically generate a disposition …
-
-----------------------------------------
**Describe the bug**
R-Group Decomposition problems
**To Reproduce**
core = 'CCCCCCCCC'
mol = 'CCCC1C(C1)CCCC'
rgd, fails = rdRGroupDecomposition.RGro…
-
**Describe the bug**
When using the display function provided by module mols2grid, a grid-type widget is shown in the output cell with molecules structures. A search bar is provided where we can do p…
-
We currently do not support all of [SMARTS' features](http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html). Here we're keeping track of which portions are supported.
Left column denotes c…
ctk3b updated
4 years ago
-
**Describe the bug**
I've come across a couple of cases where the library change handler SMARTS matching code hangs when attempting to match a full molecule SMILES.
This is likely because there …
-
Hi! If the new project support SMARTS in https://github.com/sjtu-marl/malib?
-
**Description:**
- RDKit Version: 2017.09.3
- Platform: Windows
When matching one SMARTS with a specific SMILES somehow one match is missing.
Following code:
```
smiles = 'C1=CC=C2…
-
The mod Additional Paste Settings (Fixed) (1.6.4) caused a non-recoverable error.Please report this error to the mod author.Error while running event AdditionalPasteSettings::additional-paste-settings…
-
Hi, first of all, congrats on a great job!
I forked the repo and I was playing around with some test sets. While testing some N heterocycles, I noticed that the acidic nitrogen in tetrazole was ignor…