Multi-layer perceptron model for photo-voltaic material properties prediction.
☆27Dec 8, 2022Updated 3 years ago
Alternatives and similar repositories for Machine-learning-for-photovoltaic-material-property-prediction
Users that are interested in Machine-learning-for-photovoltaic-material-property-prediction are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This repo includes the dataset/code of 3D Convolutional Neural Network for material property prediction☆20Aug 15, 2020Updated 6 years ago
- AI for a cure, a combination of Latent-GAN and VAE-JTNN to create 100% valid drug like molecules☆10Mar 16, 2020Updated 6 years ago
- Molecular inferring project developed by the Discrete Mathematics Lab at Kyoto University.☆10May 26, 2026Updated 5 months ago
- This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.☆13Mar 11, 2025Updated last year
- All the codes and data used in "Inverse design of soft materials via a deep-learning-based evolutionary strategy", by G. M. Coli, E. Boat…☆12Oct 26, 2021Updated 5 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Curre…☆12Jan 15, 2021Updated 5 years ago
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆13May 13, 2019Updated 7 years ago
- ☆30Updated this week
- ☆20Jul 1, 2023Updated 3 years ago
- ☆16Apr 8, 2023Updated 3 years ago
- Visual Molecular Dynamics in Docker Container☆12Jan 1, 2015Updated 11 years ago
- Conditional Constrained Graph Variational Autoencoders (CCGVAE) for Molecule Design☆22Sep 20, 2020Updated 6 years ago
- ☆11Aug 3, 2023Updated 3 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Apr 28, 2021Updated 5 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method…☆13Aug 22, 2019Updated 7 years ago
- Deep Neural Network using Python and Tensorflow☆11Sep 22, 2017Updated 9 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 6 years ago
- ☆18Oct 25, 2022Updated 4 years ago
- Code for KekuleScope☆11Nov 22, 2022Updated 3 years ago
- Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…☆17Aug 18, 2021Updated 5 years ago
- ☆14Dec 16, 2022Updated 3 years ago
- An integrated web-based platform for molecular descriptor and fingerprint computation☆13Nov 9, 2016Updated 9 years ago
- Applying Machine Learning methodologies in search of novel MOF's and battery materials.☆14May 31, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 3 years ago
- Plots for "Machine-learned and codified synthesis parameters of oxide materials" in the journal Scientific Data☆14Jul 6, 2017Updated 9 years ago
- ☆13Sep 11, 2018Updated 8 years ago
- Solver for the Semiconductor Bloch Equations describing optical response of a semiconductor nano-structure on an optical excitation.☆20Jun 12, 2025Updated last year
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Oct 2, 2026Updated last month
- A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SEL…☆10Dec 11, 2022Updated 3 years ago
- Python tools for VMD☆10Jun 3, 2018Updated 8 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- Predictors for Blood-Brain Barrier Permeability with resampling strategies based on B3DB database.☆13Aug 12, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆35Mar 4, 2021Updated 5 years ago
- https://arxiv.org/abs/2102.11439☆21Apr 13, 2021Updated 5 years ago
- Predict materials properties using only the composition information!☆134Apr 23, 2023Updated 3 years ago
- Gaussian Processes regression and classification implementations, as well as notebook for accompanying blog. Blog static site:☆12Jul 16, 2018Updated 8 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆22Oct 13, 2026Updated 3 weeks ago
- Python framework for generating and validating pseudo potentials☆54Nov 8, 2023Updated 2 years ago
- An implementation of the Multilayer Perceptron for breast cancer detection using the Wisconsin diagnostic dataset.☆11Feb 1, 2024Updated 2 years ago