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Hi
I was wondering if one can use groamcs-ramd to get binding events instead of unbinding. Is it possible to change the parameters in which the ligand approaches the binding site instead of getti…
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### What happened?
**Issue Description**: While conducting load testing on an API utilizing the DataApiBuilder (DAB), it was observed that the telemetry data available in Live Metrics and other Appli…
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DPGEN2 refactor [DP-GEN](https://github.com/deepmodeling/dpgen) based on [dflow](https://github.com/deepmodeling/dflow). The technical details can be found [here](https://docs.deepmodeling.com/project…
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您好,
从代码来看,sampling的方法就算用同样的input和parameter让LLM inference N次。我的理解对么?
那请问论文第4页的“Methods enhanced by our method”,并没有应用到sampling中么?
谢谢!
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### 🐛 Describe the bug
I run the following code in a notebook:
```
import torch
import time
# Reserve 2G GPU RAM
mem_ptr = torch.cuda.caching_allocator_alloc(1024*1024*1024 * 2)
# Sleep 5…
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### Your current environment
```text
Collecting environment information... [0/668]
PyTorch version: 2.2…
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In commercial software such as Schrödinger's FEP+, FEP is accelerated by enhanced sampling methods such as REST2, is it possible to achieve a similar function in yank? In the help documentation I only…
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On c7i.metal-48xl's 1 socket's (Intel Xeon Platinum 8488C) 48 physical cores (no HT):
Tool | Time[s] 100K | Time[s] 1M | Time[s] 10M | AUC 1M | AUC 10M
------------------|----…
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Hi thanks for the great work. I am wondering if this repo can be used to generate enhanced images, e.g. super-resolution images.
I modified your codes but still couldn't get expected results, hope …
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We should explore possibility of adding some docking capabilities. Using locally enhanced sampling (LES) would be the best.
ghost updated
6 years ago