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I have generated many conformers for a number of different sequences of different length. The following are graphs showing how the rate of conformer generation slows dramatically and the energies of t…
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**Describe the bug**
For some molecules with explict hydrogens in their SMILES (e.g. O=C1C2=C(OC)C=C(OC)C=C2CC3(SCCCS3)/C=C/C=C\[C@]4([H])[C@]([H])(O4)C[C@@H](C)O1 ) there is a mismatch in atom ord…
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### Describe the bug
I installed text generation webui and downloaded the model(TheBloke_Yarn-Mistral-7B-128k-AWQ) and I can't run it. I chose Transofmer as Model loader. I tried installing autoawq b…
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### Model description
Do we support Model2Vec embedding models?
E.g: https://huggingface.co/minishlab/potion-base-8M
https://minishlab.github.io/tokenlearn_blogpost/
### Open source status
- […
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The four molecules from the cross section paper might be a good starting point. Then we could take a look at particularly challenging cases from the UV/VIS Spectral Atlas maybe? We should, at least in…
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像是缺失了文件
Unrecognized model in D:\LIUGEGE\ComfyUI\models\Joy_caption_alpha\text_model. Should have a `model_type` key in its config.json, or contain one of the following strings in its name: albert, a…
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- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version:
```sh
$ obabel -V
Open Babel 3.0.0 -- Mar 11 2020 -- 11:52:36
`…
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I noticed that you used the generation of 3d molecular conformations in conformer.py in the data folder in mol_tools, but it seems that 1 is generated for each molecular conformation, but in the uni-m…
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Hi @miquelduranfrigola
As this is organised now, it basically uses three modules:
- Docking (code embedded within the repository)
- Conformer generation (either from the embedded code in the rep…
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**Description:**
Conformer generation for monoatomic species seems to be incredible slow, the process taking multiple orders of magnitude longer than for molecules.
For example, generating a confo…
BvB93 updated
2 years ago