Curie-Web/README.md

Curie-Web

Tested on:

• macOS 10.15 (Catalina)
• Ubuntu 20.04 - Raspberry Pi 4

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 config.ini

Default Values:

[DATABASE]
HOST = navanspi.duckdns.org
PORT = 3306
USER = curieweb
PASSWORD = curie-web-russian-54
NAME = curie

[SMTP]
SERVER = smtp.gmail.com
PORT = 587
EMAIL = navanchauhan@gmail.com
PASSWORD = okrs shoc ahtk idui

[LOGS]
LOG = True
SAVE_LOGS = False 

[FILES]
UPLOAD_FOLDER = ./app/static/uploads
LOG_FOLDER = ./app/logs/

[EXECUTION]
INSTANT = True

[FEATURES]
LSTM = False

Database

Name	Description
HOST	MySQL Database Host
PORT	MySQL Database Port
USER	Username
PASSWORD	Password
NAME	MySQL Database Name

SMTP

Name	Description
SERVER	SMTP Server
PORT	SMTP Port
EMAIL	Email
PASSWORD	Password

LOGS

Name	Description
LOG	Log
SAVE_LOGS	SAVE LOGS

FILES

Name	Description
UPLOAD_FOLDER	Folder to store files
LOG_FOLDER	Folder to store logs

EXECUTION

Name	Description
INSTANT	Whether to run the docking jobs instantly (True or False)

FEATURES

Name	Description
LSTM	Enable LSTM Generator (True or False)

3. 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, copy the file:

cp COLLADA2GLTF-bin /usr/local/bin/collada2gltf

4. Setting up the Database

You will first need to create a database and grant all priviliges to a user. Make sure you have correctly configured the config.ini file.

After tha simply run the following commands. This will create the table(s) and check if the backend is working or not.

cd tests
python3 dbTestFiller.py
python3 backendTest.py
python3 removeSample.py

5. 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"

systemd

There is a sample systemd file in the misc folder

• Configure the file and then copy it to /etc/systemd/system

• You can start the server by running sudo systemctl start curie

• To enable the server to start on boot run sudo systemctl enable curie