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I have espaloma installed, but I haven't been able to use it as an option for small_molecule_forcefield in a SystemGenerator.
for,
`system_generator = SystemGenerator(
forcefields=[
"…
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#### Bug Report Checklist
- [ Y] Have you provided a full/minimal spec to reproduce the issue?
- [ Y] Have you validated the input using an OpenAPI validator ([example](https://apidevtools.org/swa…
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Include QBE backend instead of the current custom one. This will bring pros like targeting multiple architectures (amd64, aarch64, riscv64) and optimization. But it will require rewriting the entire p…
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适配最新版 tiny_gltf.h,只做了以下改动,转换后发现纹理没有了。
```
tinygltf::Material make_color_material_osgb(double r, double g, double b) {
tinygltf::Material material;
material.name = "default";
@@ -458…
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### Environment information
```plain text
"amplifyfinbobbohemikaamplifyapp26797FB3": {
"Type": "AWS::Amplify::App",
"Properties": {
"BasicAuthConfig": {
"EnableBasic…
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**Tool:** ws-sbom-generator
**Planned Changes:**
We want to have always the same name for the "WhiteSource SBOM report". At the moment we get "WhiteSource project-frontend SBOM report-SPDX-2…
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### Steps to reproduce
Given this filen named test.py:
```python
import numpy as np
class ExempleClass :
typ = np.uint32
def __init__(self,D):
self.X = np.zeros( D, dtype=self.t…
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### Describe the bug
I'm trying to load an SQLite database that's around 100MB.
Seems like I'm hitting this line when trying to access a table in the db that's bigger than 32MB:
https://github.com/e…
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### systemd version the issue has been seen with
255
### Used distribution
Azure Linux 3.0
### Linux kernel version used
6.6.47.1-1.azl3
### CPU architectures issue was seen on
x8…
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### Prerequisites
- [X] I have written a descriptive issue title
- [X] I have searched existing issues to ensure the bug has not already been reported
### Versions
```
"prisma": "^5.20.0",
"pris…