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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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### Week 1 - Get to know the community
- [x] Join the communication channels
- [x] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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### Model Name
Molecular fingerprint maps based on broadly learned knowledge-based representations
### Model Description
Molecular representation of small molecules via ingerprint-based molec…
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Hi. I hope this message finds you in the best of health. I was looking for QM7b multi-task dataset in the format like other datasets have been provided in the data.tar.gz file (qm8, qm9). Any sort of …
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This issue is meant to summarize the current status and likely future direction of the NumPy array protocols, and their relevance to the array API standard.
**What are these array protocols?**
I…
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a m…
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There are 3 experiments I want to run in this repo to gather some information on building/managing structured information extraction pipelines with LLMs (i.e. GPT4) over rare disease literature. Thes…
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你好，对你们的对接程序很感兴趣，谢谢你发展了KarmaDock。看你们昨天发布的文章。比较好奇为什么你们不用equibind提供的time split划分做下模型训练来进行公平的比较呢？我清楚time split划分没意义，但是文章里提到不公平比较然后使用tankbind这一点似乎有点牵强了吧。是比不过他们，所以没放数据吗？你们的思路我以前实现过，就是用DeepDock那套打分以及构象优化（构象优…
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [X] Install the Ersilia Model Hub and test the simplest model
- [x] Write a m…
-
### Week 1 - Get to know the community
- [x] Join the communication channels
- [x] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…