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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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Hi, I got the following issue, during running of the this Jupyter Notebook Lib-INVENT RL1 - QSAR.ipynb under the https://github.com/MolecularAI/Lib-INVENT/tree/main/tutorial
I have created the envs…
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Hi all, can everyone please have a quick look at https://fairsharing.org/Toxicology and see which toxicology related entry is missing. Please leave missing entries in the comments, or if you added som…
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**Submitting author:** @stevenshave (Steven Shave)
**Repository:** https://github.com/JustinYKC/FEPOPS
**Branch with paper.md** (empty if default branch):
**Version:** 1.4.0
**Editor:** @richardjgowe…
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Hi,
I tried the Reinforcement Learning demo and it worked well on my machine with 32 CPUs but then I tried the Lib-INVENT_RL2_QSAR_RF and I got the following error: RuntimeError: Attempting to deseri…
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Hi,
thanks for providing this repository. I would be highly interested to try the model. Following the readme I faced different problems which might be minor ones, but in the end I did not manage t…
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**Describe the bug**
When a set of spectra containing fingerprints computed with `add_fingerprint` is saved to file and loaded again, the fingerprint is read as string instead of as numpy array of va…
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### Describe the bug.
Mol2Vec featurizer is unable to convert SMILES of well known drugs, like isoniazid and pyrazinamide. Since these are used at fetching time, the model cannot be fetched.
### De…