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I am seeking assistance in using ISiCLE on a local server without relying on Cascade and obtaining NMR chemical shifts directly. My goal is to provide molecular structures to ISiCLE and retrieve the c…
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GNN Intro Review
_The following peer review was solicited as part of the Distill review process._
_**The reviewer chose to waive anonymity.** Distill offers reviewers a choice between anon…
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### Describe the workflow you want to enable
In many multioutput problems, for example in chemoinformatics, there are missing values in target values, because only some properties are actually measur…
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### Project Title: **Predicting Antibiotic Resistance Mechanisms with DeepChem**
### Project Description
Develop a deep learning model in the DeepChem framework to predict the mechanisms of antibi…
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I want to implement some physics based priors. An example would be a Coulomb interaction based on pre-computed partial charges that are stored in the dataset. `BasePrior.forward()` is supposed to re…
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Hello interested contributors! Welcome to the `covid19-review` project. Our goal here is to provide an up-to-date perspective on the current peer reviewed and preprinted literature around diagnostics …
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在给定参考资料上回答问题时，非常偏向英文输出。使用prompt或者system控制仍然无效。
print('X.. ' + str(x_train.shape) + ' Y.. ' + str(y_train.shape))
X.. (2048, 2980) Y.…