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**Submitting author:** @gmrandazzo (Giuseppe Marco Randazzo)
**Repository:** https://github.com/gmrandazzo/libscientific
**Branch with paper.md** (empty if default branch):
**Version:** v1.6.0
**Edit…
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**Describe the bug**
This looks like one of the edge cases in double bond drawing that @DavidACosgrove has been working on lately.
I ran into a quite peculiarly (let's put it this way) drawn molecul…
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**Describe the bug**
Drawing a representation of ferrocene where the bonds to the Fe are represented by dative bonds from the relevant carbon atoms give…
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**Describe the bug**
For this particular structure (see Reproduce section and screenshots) the molecule is drawn with the bond spanning 5 atoms - looks like a bug.
**To Reproduce**
```
from rdki…
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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Hi,
I’m a relatively new user of Rust (more familiar with Python & R) and hoping to integrate Rust and RDKit (trying to start a cheminformatics project in Rust), so I was quite excited to come acro…
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**Describe the bug**
moldraw2DTest1 fails when building on aarch64 Raspberry Pi OS.
**To Reproduce**
Hi,
I am trying to build the 2022_09_3 RDKit release on aarch64 (Raspberry Pi OS 64 bit,…
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**Describe the bug**
I noticed this while putting a tutorial notebook together.
Here's some code:
```
d2d = Draw.MolDraw2DSVG(250,200)
c1 = (.3,.3,1)
d2d.DrawMolecule(m,highlightAtoms=[0,1,2],…
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**Description:**
- RDKit Version: 2017.03.3
- Platform: macOS 10.12, Python 3.6
The IPC Descriptors (Descriptors.Ipc) returns extremely large values. The magnitude seems to be molecule …
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**Describe the bug**
It's not unattractive, IMO, but clearly wrong.
**To Reproduce**
Steps to reproduce the behavior, feel free to paste a bit of Python in here.
**Expected behavior**
Plain…