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I'd like to use flowgraphLib to store atoms (node, c++ pointer data) and bonds (edges, c++ pointer data), including adding/insertion/removing operations. Can flowgraphLib provide frequent operations …
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When plotting data with bonds shorter than 1 (absolute units), additional bonds are added in. (reported by Johannes, reproduced by me)
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In the 2 following paths `../` is short for `/chains//blocks//context/contracts//`
- Added RPC `GET ../spendable` which is identical to `GET ../balance`
- Added RPC `GET ../spendable_and_frozen_bo…
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## Environment Information
Open Babel version:3.1.1
Operating system and version: 5.15.0-121-generic Ubuntu
I have compiled
## Expected Behavior
The problem is related to the option "-ag" in…
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Bonds can support multiple collateral types. In Compound, the supported collaterals are specific to each chain and market. Here is an example of '[Collateral assets](https://app.compound.finance/marke…
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Hi,
We have a process currently where we read in a reaction SMILES, generate a RXN block / file and read it back into RDKit, and want to export it back as reaction SMILES.
The issue is: if the r…
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Dear TeNeS Developers,
1. I would like to run multiple jobs simultaneously in TeNeS, but I am encountering an issue where TeNeS only works when a single job is running. When I attempt to start a se…
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**Configuration:**
- RDKit Version: 2020.03.1
- Operating system: Windows 10
- Python version (if relevant): 3.8.1
- Are you using conda? Yes
**Description:**
I am enumerating …
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**Affected Version:** _Release/2.1_
**Steps to reproduce:**
_Scenario I_
1. Click the “N” button on the Atom Palettebar and click the canvas.
2. Verify that NH3 molecule has appeared on the canvas…
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**Configurations:**
_Windows_ 10 v1909
KNIME 3.7.2
org.rdkit.knime.types_4.0.0.v201911280715
org.rdkit.knime.bin.win32.x86_64_4.0.0.v201911060821
_Ubuntu_ 18_04
KNIME 4.1.0
org.rdkit.knime.ty…