A deep learning Bayesian framework for attribute driven inverse materials design
☆15Mar 4, 2020Updated 6 years ago
Alternatives and similar repositories for SLAMDUNCS
Users that are interested in SLAMDUNCS are comparing it to the libraries listed below
Sorting:
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 5 years ago
- Deep Learning And Applied Artificial Intelligence Project 2019/2020 - Molecular Synthesis & Reconstruction☆13Aug 31, 2021Updated 4 years ago
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 6 years ago
- A web based application predicts water solubility of any given chemical compound known or unknown☆14Jul 4, 2021Updated 4 years ago
- A deep learning solvation model☆13Aug 24, 2021Updated 4 years ago
- Benchmark problems of GPU computing of phase-field models☆13Oct 26, 2022Updated 3 years ago
- Convergence of multiple synthetic paradigms in a universally programable chemical synthesis machine☆12Feb 9, 2021Updated 5 years ago
- Predicting spectral emissivity of particles from a given material and geometry using decision trees and random forest.☆10May 12, 2021Updated 4 years ago
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- ☆14Mar 28, 2019Updated 6 years ago
- ☆18Sep 29, 2021Updated 4 years ago
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆17Dec 27, 2017Updated 8 years ago
- Modeling Ethereum NFTs using lognormal models and trait based pricing☆19Aug 17, 2022Updated 3 years ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆24Sep 1, 2025Updated 6 months ago
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 6 years ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆50Aug 9, 2019Updated 6 years ago
- Uncertainty quantification of molecular property prediction using Bayesian deep learning☆45Feb 14, 2019Updated 7 years ago
- Includes data about over 250 NFT Collections☆20Oct 1, 2023Updated 2 years ago
- all code for this study☆25Jan 14, 2026Updated last month
- BoundLess Objective-free eXploration (BLOX) for discovery of out-of-trend materials☆25May 28, 2020Updated 5 years ago
- Next-generation sequencing analysis pipelines & scrips☆10Nov 25, 2020Updated 5 years ago
- Inverse materials design via invertible neural networks☆65Mar 20, 2023Updated 2 years ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆10Nov 20, 2025Updated 3 months ago
- Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks☆29Feb 4, 2019Updated 7 years ago
- ☆11Oct 15, 2025Updated 4 months ago
- This repository contains the source code for the paper titled "Prediction of Mechanical Properties and Inverse Design of Columns with Com…☆13Oct 28, 2024Updated last year
- FEM MATLAB framework for multiphysics problems in porous media☆16Nov 3, 2025Updated 4 months ago
- hrtem lattice fringe image analysis algorithms - developed for carbon nanostructure analysis☆10Jan 9, 2026Updated last month
- Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…☆36Nov 14, 2024Updated last year
- Materials Design by Monte Carlo Tree Search☆35Dec 2, 2021Updated 4 years ago
- A Backward Compatible -- Physics Informed Neural Network for Allen Cahn and Cahn Hilliard Equations☆36Feb 4, 2022Updated 4 years ago
- ☆35Sep 18, 2025Updated 5 months ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆39Nov 11, 2021Updated 4 years ago
- dic software☆13Jun 16, 2025Updated 8 months ago
- Code to reproduce analyses of mouse cortical gradients☆10Feb 27, 2019Updated 7 years ago
- gmx_corr converts the covariance matrix which is produced by GROMACS covar to cross correlation matrix and creates a heat map figure.☆11Oct 11, 2022Updated 3 years ago
- AI for a cure, a combination of Latent-GAN and VAE-JTNN to create 100% valid drug like molecules☆10Mar 16, 2020Updated 5 years ago
- Developing a Deep learning classification-based model for screening pharmaceutical compounds with hERG inhibitory activity (cardiotoxicit…☆14Oct 2, 2024Updated last year
- ☆11May 28, 2021Updated 4 years ago