qiskit-community / quantum-protein-folding
Code for the paper "Resource-efficient quantum algorithm for protein folding"
☆12Updated last year
Alternatives and similar repositories for quantum-protein-folding
Users that are interested in quantum-protein-folding are comparing it to the libraries listed below
Sorting:
- ☆18Updated last year
- PyTorch and PennyLane implementation of Quantum GAN with Hybrid Generator.☆89Updated 9 months ago
- This repository contains the source code of Exploring the Advantages of Quantum Generative Adversarial Networks in Generative Chemistry☆24Updated 2 years ago
- ☆43Updated 11 months ago
- Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES☆12Updated last year
- A python package for exploring end-to-end chemistry workflows on quantum computers and simulators.☆123Updated 4 months ago
- Quantum Chemistry and Computing for the Curious, published by Packt☆42Updated last year
- Data analytics for molecular solids melting points☆31Updated 2 years ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆75Updated last week
- Course material for an undergraduate quantum chemistry lab class☆49Updated 8 months ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆42Updated last year
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆81Updated 3 months ago
- Quantum computational chemistry based on TensorCircuit☆64Updated 6 months ago
- Everything to do with the Mur Ligase Project☆28Updated 2 months ago
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆44Updated 2 years ago
- https://arxiv.org/abs/2102.11439☆20Updated 4 years ago
- An interoperable Python framework for biomolecular simulation.☆112Updated last month
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆57Updated 2 months ago
- This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discov…☆127Updated 9 months ago
- These are the input files for MD simulation in Gromacs 5.0+☆11Updated 2 years ago
- ☆125Updated last year
- Workshop teaching QMMM using Amber☆63Updated 2 years ago
- End-to-end ML workflow based on the talk I gave in CHE596.☆11Updated 9 months ago
- Δ-QML for medicinal chemistry☆101Updated last week
- ☆119Updated 6 years ago
- Generative modeling of molecular dynamics trajectories☆154Updated last month
- ☆68Updated 10 months ago
- ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…☆72Updated this week
- Code for the paper "JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design"☆80Updated 2 years ago
- ☆46Updated 2 years ago