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ML4Science Hands on Session

Q8 Secondary structure prediction contest submission window is open [4th Dec 6:00pm - 6:15pm]

Prerequisites

Hardware:

  • Dual core CPU
  • Minimum 4GB RAM (>= 8GB recommended)

Software:

Operating System:

  • Linux (Any distribution like Ubuntu) installed natively (recommended)
  • Linux distribution in a virtual machine

Python3.6 or above

Python Libraries required:

- Numpy
- Pandas
- Matplotlib
- Scikit-learn
- RDKit(optional) 
- Jupyter Notebook
- PyTorch (CPU)

A basic understanding of Python

Installation Instructions

Linux

  • Native Ubuntu 18.04 installation instructions can be found here

Python3 Environment

  • Install python3 package manager pip3 on ubuntu by executing the following in the terminal

      sudo apt install python3-pip
    

Git

  • Install git using the following command

      sudo apt install git
    
  • To clone the repository

      git clone https://github.com/devalab/ml4science_tut.git
    

Libraries

  • Install the above mentioned libraries by executing the final command on terminal while you're connected to the internet

      pip3 install -r requirements.txt
    

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