1f5517f7bd | ||
---|---|---|
.github/workflows | ||
app | ||
lstm_chem | ||
misc | ||
tests | ||
.deepsource.toml | ||
.gitignore | ||
Aptfile | ||
Procfile | ||
README.md | ||
api.py | ||
config.ini | ||
requirements.txt | ||
run.py | ||
runtime.txt |
README.md
Curie-Web
Tested on:
- macOS 10.15 (Catalina)
- Ubuntu 20.04 - Raspberry Pi 4
Do Not Forget To Change DB Host configuration!
1. Installing Dependencies
1.1 Docker
Once you have installed docker, make sure to pull the following images (Otherwise, these will automatically get downloaded when you run the web-server)
- navanchauhan/curie-cli (amd64/aarch64)
- navanchauhan/usd-from-gltf (aarch64)
- leon/usd-from-gltf (amd64)
1.2 PLIP
Install from pharmai/plip.
In case you have problems installing it, install it from the forked repo navanchauhan/plip
1.3 PyMOL with Python Bindings (version >= 2.0)
-
macOS users can use Homebrew to install it via
brew install pymol
-
Users using apt can install it via
sudo apt install pymol
1.4 Open-Babel (version >= 3.0)
macOS users can use Homebrew to install it via brew install open-babel
Users using apt can install it via sudo apt install openbabel python3-openbabel
2. Changing the Configuration
Replace the values in app/__init__.py
, app/dock-single.py
and app/dock-docker.py
3. Enabling LSTM Generator
Open app/views.py
Make sure you have installed Tensorflow. Replace the following:
tfWorking = 0
with
tfWorking = -1
4. Adding AR Model Support
Make sure you have PyMOL 2.0 or higher
Either download the precompiled binaries from COLLADA2GLTF or compile it on your own
Once you have the COLLADA2GLTF-bin
file, run the following:
cp COLLADA2GLTF-bin /usr/local/bin/collada2gltf
Running
Without FastAPI
gunicorn api:app -b "0.0.0.0:7589"
With FastAPI
gunicorn api:app -k uvicorn.workers.UvicornWorker -b "0.0.0.0:7589"