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When I ran:
```
require "expressir"
Expressir::Express::Parser.from_file("/path/to/iso-10303/schemas/resources/action_schema/action_schema.exp")
```
I got an error:
```
~/.rbenv/versions/3.1.…
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I added in the Blast fix from #31 which fixed the ss_residue error and now when I try any of the examples it seems the atab file isn't being generated/saved correctly?
My call is here:
HYDRA_FULL_…
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Hi there!
I'd like to propose that bare atoms such as `:attr` be allowed in schemas and that their behavior be the same as `required(:attr)`. There are three primary reasons I believe this should b…
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### Describe the bug
Using `set_output(transfrom="pandas")` doesn't return a pandas dataframe for the StandardScaler's `inverse_transform` method.
### Steps/Code to Reproduce
```python
from sklear…
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The `yarn build` command fails during building the production build.
This is with nodejs version `20.12.1`.
The .env file is a copy of the example env with only `NEXTAUTH_SECRET=` and `CALENDSO_EN…
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I'm getting an error when I try to import a small molecule using the local method using a file format different from PDB.
The CIF and MOL files were created using Open Babel with the following setti…
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Hi, Congrats your with an impressive work. Boltz1 is Huge.
I'd like to ask you about writing covalent bond with ligand and residue.
Here is my yaml file
version: 1 # Optional, defaults to …
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### Bug summary
In the [ molecules ] section of the topology file, if ions such as "SOD" and "CLA" are placed before the ligand, the function parmed.gromacs.GromacsTopologyFile cannot correctly proce…
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Hi! I'm trying to run a hello world:
```
from fairchem.core import OCPCalculator
from ase.optimize import FIRE # Import your optimizer of choice
from ase.filters import FrechetCellFilter # to…
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Trying to install and run the launcher on archlinux, and I seem to have gotten a segfault in libxcb?
The total backtrace is 72 lines long but I can provide it if it would help
```hx
(gdb) bt
#0 …