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This issue is to discuss a proposed feature of having energy component analysis in OpenMM. Peter mentioned that this would be a major architectural change in OpenMM and would take a long time to do -…
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This is one @[example](https://github.com/choderalab/mcce-charges/tree/master/testing/Cobimetinib/4AN2_together) of how we'll get the ΔΔG
![image](https://cloud.githubusercontent.com/assets/8505813/…
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In the version 15.01.a the outputs produced during the STEP 7 are wrong, because of erroneous parsing of CSV files.
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### Description:
Develop a Peer-to-Peer (P2P) energy trading system that empowers local businesses, such as Anand's wheat grinding mill, to purchase renewable energy from local prosumers. The system …
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WDYT? Is this publication in scope?
```
@article{Cai_2020,
author = {Cai, Xiaomin and Li, Renfa and Kuang, Shijie and Tan, Jinhui},
doi = {10.1109/access.2020.2993701},
issn = {2169-3536},
journal…
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Standing up a strategy & design plan for communications skills-building.
All development work identified in process happening in [Workspace - Openscapes + Liminal - Comms Pathway](https://docs.goo…
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Analysis of real-time domestic consumer data and industrial electrical energy consumption data, providing valuable insights for decision-making & using mathematics, statistics, predicting report.
Con…
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Future issues:
1. Remove `?.` optional chaining operator from `user_data`
2. How do we want to handle `?.` optional chaining operators in general? They indicate that something is not a…
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### Comment:
A conda-forge environment with nothing but pytorch for cuda in it currently ways in at 7.2GB, which is perceived to be rather on the heavy side of things.
Looking at potential for slimm…
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With the latest Bz offset changes on THEMIS-E, we need a way to estimate the Bz component using particle data. From Vassilis:
As we discussed we would like to determine the field line direction fro…