R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
☆15Jan 22, 2019Updated 7 years ago
Alternatives and similar repositories for HighTCond_Polymer_iqspr
Users that are interested in HighTCond_Polymer_iqspr are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
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 6 years ago
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆19Dec 27, 2017Updated 8 years ago
- ☆14Jul 13, 2022Updated 4 years ago
- ☆14Mar 28, 2019Updated 7 years ago
- Code to build a probabilistic predictive model for HSP☆39Mar 10, 2022Updated 4 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.
- Benchmark AFLOW Data Sets for Machine Learning doi.org/10.1007/s40192-020-00174-4☆11Aug 29, 2020Updated 5 years ago
- ☆13May 13, 2022Updated 4 years ago
- Materials Design by Monte Carlo Tree Search☆35Dec 2, 2021Updated 4 years ago
- plug-n-play black box optimizer for high-throughput computing☆52Mar 8, 2023Updated 3 years ago
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 7 years ago
- ☆12Mar 31, 2023Updated 3 years ago
- Convergence of multiple synthetic paradigms in a universally programable chemical synthesis machine☆12Feb 9, 2021Updated 5 years ago
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 4 years ago
- Solv@TUM - The Solvation Free Energy Database☆15Mar 31, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- BankNote-Net: Open dataset and encoder model for assistive currency recognition☆44Dec 13, 2023Updated 2 years ago
- [CEC 2019] Genetic Programming with Rademacher Complexity. Paper Link: https://ieeexplore.ieee.org/document/8790341☆19Jul 25, 2023Updated 3 years ago
- Deep Learning And Applied Artificial Intelligence Project 2019/2020 - Molecular Synthesis & Reconstruction☆13Aug 31, 2021Updated 4 years ago
- XenonPy is a Python Software for Materials Informatics☆158Jul 15, 2024Updated 2 years ago
- A web based application predicts water solubility of any given chemical compound known or unknown☆14Jul 4, 2021Updated 5 years ago
- BoundLess Objective-free eXploration (BLOX) for discovery of out-of-trend materials☆25May 28, 2020Updated 6 years ago
- Detection, colocalization, and quantification of spots / puncta☆17Mar 22, 2023Updated 3 years ago
- This repository contains code for handling the materials images and spectra dataset that is the largest expermental materials science dat…☆16Jan 9, 2024Updated 2 years ago
- Graph Learning over Macromolecule Representations☆25Dec 31, 2022Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15May 5, 2018Updated 8 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 3 years ago
- A deep learning Bayesian framework for attribute driven inverse materials design☆15Mar 4, 2020Updated 6 years ago
- Python package for processing NMR Spectra☆11Jun 23, 2021Updated 5 years ago
- The Core Scientific Dataset Model (CSDM): A versatile and light-weight file-format for scientific datasets.☆18Dec 10, 2025Updated 8 months ago
- Predicting spectral emissivity of particles from a given material and geometry using decision trees and random forest.☆10May 12, 2021Updated 5 years ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆50May 13, 2026Updated 3 months ago
- For MHC-I protein-peptide binding predictions: Deep Learning model with CNN and Snakemake workflow☆13Oct 22, 2018Updated 7 years ago
- Keras layers for end-to-end learning with rdkit and pymatgen☆62Jun 24, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A knowledge graph for Materials Science.☆77Nov 4, 2024Updated last year
- Uncertainty quantification of molecular property prediction using Bayesian deep learning☆46Feb 14, 2019Updated 7 years ago
- Inverse materials design via invertible neural networks☆67Mar 20, 2023Updated 3 years ago
- Light version Factor analysis for Mixed Data☆14May 28, 2021Updated 5 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated 2 years ago
- Learning retrosynthetic pathway design using simulated experience☆19May 19, 2019Updated 7 years ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Sep 28, 2021Updated 4 years ago