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请问一下这个错误如何解决
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Hello, thanks again for your open source project, I have another question: how can I test the performance of the algorithm in the 3 scenarios of Formation, Coverage and Line?
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This issues is tracking a bug which was discovered in PR #714 - the `MulticomponentMPNN` class cannot be loaded from a checkpoint because `lightning` incorrectly infers the class arguments. This can o…
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When I use the following code:
from optunaz.utils.preprocessing.splitter import Random
from optunaz.utils.preprocessing.deduplicator import KeepMedian
from optunaz.config.optconfig import ChemPro…
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## Describe the bug
I used python 3.10 and downloaded pip install rl4co and pip install torch_geometric and the error occurred as follows:
Change the Encoder：Error
AttributeError …
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Hi, thanks for your contribution of this marvellous work, I appreciate it very much for proving this great opportunity to reproduce your work. However, when reproducing the code, I found out the model…
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Attempting to train a model based on smiles strings with an additional value from a numpy array added in the following manner `all_data = [data.MoleculeDatapoint.from_smi(smis[0], y, x_d=M) for smis, …
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Thanks for all the hard work on v2. I've been watching all the buzz in the repo, and I know you are putting in an incredible amount of effort. Thank you!
**Describe the bug**
I'm attempting to r…
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In the function `_split_data` in parser.py, there are several cases looking at different input card types and assigning the dtype variable.
The second if case is this one:
```
elif (t[0][0].l…
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Hi,
In [protein_mpnn_utils.py](https://github.com/Kuhlman-Lab/ThermoMPNN/blob/main/protein_mpnn_utils.py), line 1396, there seems to be a typo (an additional character E in `mask_attendE`):
mask_…