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I am trying to train a multiclass classification model using the following command:
```
chemprop train \
--data-path $DATASET \
--task-type multiclass \
--output-dir $MODEL_DIR \
--num-workers…
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[Enter steps to reproduce:]
1. ...
2. ...
**Atom**: 1.54.0 x64
**Electron**: 6.1.12
**OS**: Microsoft Windows 10 Home
**Thrown From**: [atom-beautify](https://github.com/Glavin001/atom-beaut…
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[Enter steps to reproduce:]
1. ...
2. ...
**Atom**: 1.52.0 x64
**Electron**: 6.1.12
**OS**: Unknown Windows version
**Thrown From**: [atom-chs-menu](https://github.com/JPomichael/atom-chs-me…
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Dear devs.
I use a simple script for calculating nmr shieldings:
# xyzin="propanol-g_opt1.xyz" # running
xyzin ="clprop1-g_opt1.xyz"
logfile="nmrtest2.log"
import pyscf
# from pyscf impo…
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Sometimes the MyCobot280pi stopps working.
With this testscript it shows me, that there are Errors. Why.
The only solution is to power it off and on with the switch.
```
from pymycobot import My…
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### Summary
Running aimd (vasp) in the init step of DP-GEN gives an error with the message IndexError: list index out of range.
### DP-GEN Version
dpgen:0.12.0
### Platform, Python Version, etc
_…
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```
from flowermd.base import Molecule
from flowermd.base import Pack
from flowermd.library.forcefields import FF_from_file
import unyt
p3ht = Molecule(num_mols=20, smiles="CCCCCCc1ccsc1")
sys…
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Depends on #407
## Gnolang smart contracts
- [ ] DAO/MODULES
- [ ] SOCIAL/TWITTER
- [ ] SOCIAL/BOARDS
- [ ] SOCIAL/LINKEDIN
- [ ] SOCIAL/OTHER
- [ ] DEFI/AMM
- [ ] DEFI/ORDERBOOK
- [ ] D…
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I am running a molecular dynamics simulation of a single polymer chain in water. I want to calculate the solvent accessible surface area of the polymer over the course of the simulation.
Per the e…
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I feel that there the `src/helpers/Link` should be converted into a component and that there is too many ways to have an edition of a link or a button in the editor.
We have `wordpress/theme/lib/e…
kuuak updated
3 months ago