-
Hello, I build a distillation tower according to the following code, but in the exported results, the heat utility includes both low pressure steam and medium pressure steam (in utility label of expor…
-
For any questions relating to how/why/ ... Or anything you don't know where to ask.
For bug, suggestion, ... please open [seperate issue](https://github.com/arose/nglview/issues/new)
PS: QA-0: htt…
hainm updated
5 months ago
-
Create table for words and nouns. Query it when generating usernames
Reference: https://stackoverflow.com/questions/8674718/best-way-to-select-random-rows-postgresql
-
**Submitting author:** @wathom (Thomas W.)
**Repository:** https://github.com/Bioinformatics-Munich/scas_dashboard
**Branch with paper.md** (empty if default branch):
**Version:** v1.0.0
**Editor:** …
-
**Submitting author:** @mcgalcode (Max C. Gallant)
**Repository:** https://github.com/mcgalcode/pylattica
**Branch with paper.md** (empty if default branch): paper
**Version:** v0.1.2
**Editor:** @ric…
-
**Summary**
The current implementation of ReaxFF in LAMMPS causes a huge spike in force when bond order is about 10^-8 for some parametrizations.
**LAMMPS Version and Platform**
Current devel…
-
**Submitting author:** @rkingsbury (Ryan Kingsbury)
**Repository:** https://github.com/rkingsbury/pyEQL
**Branch with paper.md** (empty if default branch): joss
**Version:** v0.11.1
**Editor:** @lucyd…
-
I have a use case of BioSimSpace that takes an SDF as input, parameterises the molecule using the GAFF forcefield, writes out just a grotop file. In truth, I do write a PDB file too but I want to only…
-
Hey Brady,
I'm trying to visualize an analysis where two protein structures are aligned side-by-side. At the moment, I can't seem to recover the true alignments that I see in VMD (used as a test c…
-
**Submitting author:** @jfaraudo (JORDI FARAUDO)
**Repository:** https://github.com/soft-matter-theory-at-icmab-csic/chitin_builder
**Branch with paper.md** (empty if default branch):
**Version:** 1.…