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The new documentation #552 contains also a revamped tutorial. However, some important sets of functionalities miss a tutorial:
- [ ] `tantan` application interface: `tutorial/application/tantan`
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# Issue Type
- Bug report
# Molecule and Ansible details
```
(new_venv) [packer ansible]$ ansible --version && molecule --version
ansible [core 2.13.7]
config file = /packer/ansible/ansi…
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Updates needed for this code base:
## December 2021
See PR #14 for details.
- [x] Update environment file as suggested by @t-kimber in #12
- [x] Check if CLI is still running > now it is ag…
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Hi everyone,
In this project, we have a bunch of experimental data on the binding of small molecules to WDR91. Many of the molecules are in nice matched pairs, in which the molecules differ by a si…
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## 🐛 Bug
In addition to https://github.com/deepchem/deepchem/issues/2336
There appears to be 2 Bacitracin in the BBBP dataset, with different SMILES. One of which is BBBP+, one of which is BBBP-
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### Outline the major step from the flow chart
The goal of this step is to be able to take a sample of soil and separate the organic and inorganic components so that we are able to do easier testing …
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![image](https://github.com/ubsuny/23-Homework7G2/assets/144289804/4e1ed8ef-6f44-4fbd-98b5-88a749a23b4d)
As shown in the picture, it seems like Cl and Na ions have formed three bonds which is not c…
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Hey Kevin,
I'm trying to install `mofdscribe` and all the dependencies. I'm having some trouble installing `molecule-tda`. I cloned the repo and `pip install .`'d it and got back the following. Thi…
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```
What steps will reproduce the problem?
1. Trunk version from May 28th
2. In pack.c line 86 after lis_of_pack_molecules is assigned: use the following
to print the molecules and their respective l…
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```
What steps will reproduce the problem?
1. Trunk version from May 28th
2. In pack.c line 86 after lis_of_pack_molecules is assigned: use the following
to print the molecules and their respective l…