☆14Sep 10, 2024Updated last year
Alternatives and similar repositories for MoleProp
Users that are interested in MoleProp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Modeling and simulation of ICS devices☆13Mar 6, 2026Updated 3 weeks ago
- Code to build a probabilistic predictive model for HSP☆40Mar 10, 2022Updated 4 years ago
- Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures☆15May 30, 2022Updated 3 years ago
- Development of Naturebytes scripts☆14Jan 14, 2026Updated 2 months ago
- PyTorch implementation of SimSiam.☆12Aug 25, 2022Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆23Sep 2, 2024Updated last year
- BatteryBERT: A Pre-trained Language Model for Battery Database Enhancement☆35Sep 6, 2022Updated 3 years ago
- GraphRXN☆31May 22, 2023Updated 2 years ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆31Oct 24, 2025Updated 5 months ago
- Moment Invariants Local Atomic Descriptor☆34Aug 20, 2024Updated last year
- ☆35Feb 17, 2022Updated 4 years ago
- A phase field method for lithium dendrite☆12Oct 19, 2022Updated 3 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- ☆11Jun 4, 2021Updated 4 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.
- Saliency calculation module for Chainer☆12May 28, 2019Updated 6 years ago
- Benchmark and reference set for conformational energies in peptides☆12Oct 10, 2018Updated 7 years ago
- Dark theme for neovim☆13Dec 24, 2025Updated 3 months ago
- A Neovim plugin renders markdown file in terminal buffer.☆17Feb 24, 2024Updated 2 years ago
- Japanese translation of "Deep learning for molecules and materials book"☆16Oct 11, 2022Updated 3 years ago
- Predictive principal component analysis (PredPCA)☆20Nov 27, 2021Updated 4 years ago
- A random forest☆48Feb 18, 2025Updated last year
- Automated crystal structure analysis based on blackbox optimisation☆34Oct 19, 2024Updated last year
- Simple Raid Planner mainly designed for MMORPG.☆24Oct 27, 2022Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Collection of code and data related to the CHAMPS kaggle competition☆11Apr 6, 2022Updated 3 years ago
- Small algorithm for getting Antoine's coefficient to calculate vapor pressure from NIST web book.☆12May 30, 2021Updated 4 years ago
- This package will help you perform a multiple minumum Monte Carlo conformer search as described in Chang et al., 1989. It is built to be …☆32Mar 9, 2026Updated 2 weeks ago
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆13Sep 27, 2024Updated last year
- Quickly clean up your development directories before backups☆20Jul 12, 2022Updated 3 years ago
- Code for the Materials Scholar website☆10May 2, 2023Updated 2 years ago
- ☆11Apr 17, 2023Updated 2 years ago
- ☆14Dec 31, 2024Updated last year
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Template for Python-based data science projects in the Alexandra Institute.☆12Mar 9, 2026Updated 2 weeks ago
- Tutorial notebooks for SciFM24☆11Apr 2, 2024Updated last year
- Electron-passing neural networks for charge partitioning in quantum chemistry☆10Dec 21, 2022Updated 3 years ago
- Batch Multi-Fidelity Bayesian Optimization with Deep Auto-Regressive Networks☆12Nov 3, 2021Updated 4 years ago
- ☆14Mar 2, 2023Updated 3 years ago
- Implementation of the BasePlanE models and the experiments from the NeurIPS 2023 paper "PlanE: Representation Learning over Planar Graphs…☆13Jan 27, 2024Updated 2 years ago
- ☆13Jul 24, 2024Updated last year