aspuru-guzik-group / quantum-generative-models
☆18Updated last year
Alternatives and similar repositories for quantum-generative-models
Users that are interested in quantum-generative-models are comparing it to the libraries listed below
Sorting:
- This repository contains the source code of Exploring the Advantages of Quantum Generative Adversarial Networks in Generative Chemistry☆24Updated 2 years ago
- PyTorch and PennyLane implementation of Quantum GAN with Hybrid Generator.☆89Updated 9 months ago
- Code for the paper "Resource-efficient quantum algorithm for protein folding"☆12Updated last year
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆75Updated last year
- https://arxiv.org/abs/2102.11439☆20Updated 4 years ago
- Deep Molecular Dreaming☆25Updated 11 months ago
- Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES☆12Updated last year
- ☆28Updated last year
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆60Updated 11 months ago
- Code for the paper "JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design"☆80Updated 2 years ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆51Updated 8 months ago
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆30Updated 11 months ago
- Quantum Chemistry and Computing for the Curious, published by Packt☆42Updated last year
- Run OpenMM with forces provided by any Python program☆34Updated 4 months ago
- Source code accompanying the 'Transfer learning with graph neural networks for improved molecular property prediction in the multi-fideli…☆27Updated 9 months ago
- ☆42Updated 10 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- 3D-CNN based water position prediction method☆11Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- Quantum machine learning (QML) molecular representations and core functions☆17Updated 4 months ago
- Generative method to design novel proteins using a diffusion model☆42Updated 2 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- Tutorial notebooks and example scripts made with Tangelo. Any Tangelo user can suggest content and showcase their work, either by pushin…☆24Updated last week
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆26Updated 2 weeks 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
- ☆16Updated 8 months ago
- Repository of Quantum Datasets Publicly Available☆47Updated last month
- ☆60Updated last year
- A Light-Weight And Interpretable Molecular Docking Model☆20Updated 6 months ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago