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computational_biology_lecture

course material

data-science-with-python

This repository contains my various pet projects done on machine Learning and Deep learning.Some of them can be found on

diffantibody

✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)

emolfrag

eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.

feyndyn

Type an M x M matrix for your open quantum system Hamiltonian, and give a spectral density (analytic or numerical). FeynDyn gives the density matrix dynamics according to the Leggett-Caldeira bath or the Feynman-Vernon bath at any temperature. Can do up to 16 qubits (65536 levels) and infinitely many bath modes. Email [email protected] for the latest version or any questions.

neural_reaction_fingerprint

publications

Supporting Information of Publications

tensorcircuit

Tensor network based quantum circuit simulator for the NISQ era