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Summary of request: Add a new organization to ROR
Name of organization: Avesta Battery & Energy Engineering (Belgium)*en
Website: https://abeegroup.com
Domains: abeegroup.com
Link to publication…
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Dear @anuroopsriram, @mshuaibii and ODAC/FairChem Team
I am currently utilizing the ASE/OCPCalculator in my research, running on an NVIDIA Tesla V100-SXM2-16GB GPU in an hpc facility. However, I h…
mwzum updated
2 weeks ago
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### Summary
add an option to choose logarithm loss function for deep potential training
### Detailed Description
Dear developers,
We are working on the development of metal fuel (boron) potent…
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**Is your feature request related to a problem? Please describe.**
I ran a LAMMPS/CGDNA simulation (oxDNA2) and considered comparing the energies computed by the simulation for a selected structure w…
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- [ ] Coulomb missing from `energy.py` (present in `energy_ii.py`)
- [ ] Spring constant `k` parameter unused in angle and bond terms in `energy_ii.py`
- [ ] Periodic torsion terms in `energy.py` sh…
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Could you consider adding this to the development roadmap? Integrating a PLUMED interface within the molecular dynamics simulation module of the MLAtom project would significantly enhance its sampling…
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Hi all,
I am struggling to write a query that calls & sums energy data by a user-defined aggregate region.
In my case, the user-defined aggregate region would be the Global North or the Global Sou…
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Summary of request: Add a new organization to ROR
Name of organization: High Energy Astrophysics Science Archive Research Center*en
Website: https://heasarc.gsfc.nasa.gov
Domains:
Link to publi…
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PFRR has significant wind and solar energy generation potential. Based on the past weather data (what weather source should be used for this, get confirmation from Heike/George ), wind and solar energ…
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We would eventually want the example code in `example` (and possibly a few more scripts) exist as a `pytest` routine that gets checked everytime a commit (or PR) is submitted. This issue should track …