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20.260_final_project

My final project for 20.260 (Computational Analysis of Biological Data) at MIT.

autodockvina-batchsubmission

A simple batch submission script to submit jobs to AutoDock Vina on Linux and MacOS developed by Bhavesh Ashok.

batch-htvs

A Bash script to submit batch jobs to ORCA, OpenBabel, MGLTools, and Autodock Vina. Automatically checks for syntax errors in ORCA input files, and can also identify ORCA runtime crashes. Organizes log files into individual directories, and creates an easy to read results summary text file. Created by Rac Mukkamala

batch-orca-script

A Bash script to submit batch jobs and batch OpenMPI jobs to the ab initio ORCA software. Automatically checks for syntax errors in input files, and can also identify ORCA runtime crashes. Provides a list of failed ORCA jobs at the end for easy troubleshooting. Organizes ORCA files into individual directories. Created by Rac Mukkamala

csis-covid-vaccine-project

gigo-hackmit22

Waste image classification platform to promote sustainability | Created at HackMIT 2022

kras-benzimidazole-design

Development and Structure-Activity Relationship (SAR) of Novel Benzimidazole KRAS Inhibitors: Supplementary Files

omics_analysis_scripts

A compilation of functions and scripts I've created to streamline analysis of phosphoproteomic data in Python!

plasmodium

Computer vision-powered platform to detect malaria and other blood-related diseases in blood smears

segmentation-algorithm-comparison

A repository for my 2020-2021 AP Research project.

smiles-to-orca

A script that converts a grouping of SMILES fragments to ORCA inputs.

symptom_checker

Uses Naive Bayes and Random Forest classifiers to predict an individual's disease based on the symptoms they input. My first full-stack ML project with an integrated web app.

ticket-to-ride