semvec/pypi-packages huggingface dataset:
molselector 1.2.0
A web app to quickly triage molecule files.
Requires Python: >=3.12

# MolSelector

MolSelector is a lightweight web app for triaging molecular structures (`.xyz`, `.mol`, `.mol2`). Point the app at a folder of files, explore each molecule in an interactive 3D viewer powered by [3Dmol.js](https://3dmol.csb.pitt.edu/), and rapidly tag it as **accept** or **decline**. Decisions are written to `selection_results.csv` in the chosen folder so they can be versioned or analyzed later.

<p align="center">
  <img src="https://raw.githubusercontent.com/nhadler/MolSelector/refs/heads/main/img/example.png" alt="toc" width="80%">
</p>

## Requirements

- Python 3.12+
- A modern browser with WebGL support (Chrome, Firefox, Safari, Edge)

## Installation

```bash
pip install molselector
```

## Running the app

Start a local server with the built-in CLI:

```bash
molselector launch
```

Open your browser to `http://127.0.0.1:8000` and MolSelector will be ready. The CLI exposes options such as `--host`, `--port`, and `--log-level`; use `molselector launch --help` to view them. You can still start the app manually with `uvicorn molselector.app:app` if you prefer.

To preload a folder of molecules (skipping the manual selection step), supply the `--xyz-folder` option:

```bash
molselector launch --xyz-folder /path/to/molecules
```

## Usage

### Keyboard shortcuts

- `Enter`, `A`, or `→`: accept the current molecule
- `D` or `←`: decline the current molecule
- `Backspace`, `B`, or `↑`: go back to the previous molecule

### Output format

The CSV file (`selection_results.csv`) contains three columns:

| column | description |
| --- | --- |
| `file` | Relative path to the molecule inside the selected folder |
| `decision` | Either `accept` or `decline` |
| `timestamp` | UTC timestamp recorded at the decision moment |

## License

MIT License

Copyright (c) 2025 Nicholas Hadler

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.
demodapk 1.1.17
A Demo CLI for modifying APK resources via config
Requires Python: >=3.10
Keywords: arsc, apk, apkeditor, demo

# DemodAPK

**DemodAPK** is a tool for modifying and editing an **apk** that has been decoded by [APKEditor](https://github.com/REAndroid/APKEditor).

## Features

- Decode and build APKs with custom commands.
- Rename packages and modify resources.
- Update AndroidManifest metadata.
- Manage settings via JSON config.
- Configure Facebook App integration.
- For educational and ethical learning purposes.

### Requirements

- Python v3.10.\* or higher.
- Java v8 or higher.
- Necessary libraries specified in `requirements.txt`.

### Install

```sh
pip install demodapk
```

#### Build from Source

Clone the repository and install manually:

```bash
git clone https://github.com/Veha0001/DemodAPK.git
cd DemodAPK
# Run git fetch and git pull for latest change.
pip install .
```

### Usage

Run the script with the following command:

```bash
demodapk [Options] <apkdir_decoded/apk_file>
```

For more about options run the command with `-h`.

### Example

<details> <summary>config.json</summary>

```json
{
  "DemodAPK": {
    "com.demodapk.lite": {
      "app_name": "DemodAPK"
      "apkeditor": {
          "jarpath": "~/.apkeditor/apkeditor.jar",
          "javaopts": "-Xmx8G",
          "output": "./build/DemodAPK"
          "clean": false,
          "dex": true
      },
      "commands": {
        "quietly": true,
        "begin": [
          {
            "run": "hexsaly -c beta.json open $BASE/root/lib/arm64-v8a/libil2cpp.so -i 0",
            "quiet": false
          },
          "rm -r $BASE/root/lib/armeabi-v7a",
          "./scripts/fixbluebutton.sh"
        ],
        "end": [
          {
              "run": "apksigner sign --key ./assets/keys/android.pk8 --cert ./assets/keys/android.x509.pem $BUILD",
              "title": "Signing Build"
          }
        ]
      },
      "level": 2,
      "package": "com.demodapk.hyper",
      "facebook": {
        "app_id": "2000000000001",
        "client_token": "example_client_token",
        "login_protocol_scheme": "fb2000000000001"
      },
      "manifest": {
        "remove_metadata": [
          "com.google.android.gms.games.APP_ID"
        ]
      }
    }
  }
```

Follow the prompts to select the APK file and modify its contents according to your preferences.

</details>

## License

This project is licensed under the GNU General Public License v3.0 - see the [LICENSE](LICENSE) file for details.

## Contributing

Contributions are welcome! Please open an issue or submit a pull request for any improvements or features.