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I encounter unstable results when I run Python code. Is there any randomness to this method?
This is my code:
``` python
import numpy as np
from pysdf import SDF
import trimesh
o = trimesh.lo…
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The rdFMCS code seems to fail for macrocycles with a fused ring.
I've attached four molecules. The first two are a pair of macrocycles: the difference between them is a single methyl group is moved…
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Gazebo Classic supports the [``](http://sdformat.org/spec?ver=1.7&elem=link#link_gravity) SDF element, which makes links float.
That hasn't been ported to Ignition yet, we aren't even parsing the f…
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### Issue summary
I want to execute covalent docking based virtual screening followed by ROC/enrichment / validation experiments
### Steps to reproduce
****
I am unable to understand few things …
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- Take the mini sub stl for Pico and build a Gazebo SDF robot model. Be sure to include required sensors.
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sas_devices is making incorrect associations of enclosure bays:
```text
root@r620:~# sas_devices -v
Found 2 SAS hosts
Found 1 SAS expanders
Found 23 SAS end devices
Resolved 1 enclosure groups…
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**Describe the bug**
Writing and then reading an SDF file containing multiple conformers gives different behavior on OpenMM and RDKit backends:
**To Reproduce**
```python
from openforcefield.uti…
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Hi, really enjoying DataFrames.jl so far!
I've noticed a slight performance issue, and I propose a quick work around.
Assume we `groupby` a const dataset, and we then have to repeatedly index in…
cmey updated
2 months ago
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Seems that meshes with e.g. holes in the mesh seem to create artifacts in created SDF. Strangely, this only seems to happen sometimes. With exact same setup, I get different behavior. Sometimes these …
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public 1.17.9, 1.17.10
Data: https://public.datagrok.ai/f/System.AppData/Chem/mol1K.sdf
1. Upload SDF files from the storage
2. Use Data > Join tables
3. Upload a project with all data sync opti…