Read journal RSS feeds and tweet selected entries
☆61Apr 23, 2026Updated 2 months ago
Alternatives and similar repositories for PapersBot
Users that are interested in PapersBot are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- pywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and…☆25Sep 29, 2025Updated 9 months ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated 2 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆22Jun 21, 2023Updated 3 years ago
- Data, in citable form, produced by the Coudert research group☆45Apr 11, 2026Updated 3 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A tool for calculating distortion parameters in coordination complexes.☆19Apr 16, 2026Updated 3 months ago
- Automatic Topological Generator for Framework Structures☆20Mar 20, 2018Updated 8 years ago
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated last year
- Library for computing anisotropy extension to SOAP descriptors☆11Updated this week
- An inversion-of-control framework for developing modular scientific software.☆13Updated this week
- Python program for aggregation and reaction☆23Jul 5, 2026Updated 2 weeks ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆25Jul 7, 2026Updated 2 weeks ago
- Automatic evaluator of the CO-functionalized tips in Atomic Force Microscopy☆10Nov 18, 2021Updated 4 years ago
- A simple cyclic voltammetry simulator, built as a MATLAB app. Based on Appendix B in Bard & Faulkner.☆14Sep 13, 2021Updated 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.
- Yaff is yet another force-field code☆39Oct 6, 2022Updated 3 years ago
- Accelerating Defect Prediction in Semiconductors Using Graph Neural Networks☆15Dec 9, 2024Updated last year
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆75Updated this week
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Jun 17, 2026Updated last month
- Python Virtual Atomic Force Microscope☆13May 27, 2021Updated 5 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated 2 years ago
- Chemistry toolkit for simulating the aqueous speciation of metal-oxo clusters☆11Jul 6, 2026Updated 2 weeks ago
- A framework for processing adsorption data and isotherm fitting☆91Mar 19, 2026Updated 4 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆16Feb 15, 2026Updated 5 months ago
- elabctl is a tool to manage (install/backup/update) an eLabFTW installation☆18Jul 10, 2026Updated last week
- N-Dimensional MD engine with symmetry group constraints written in C☆49Jul 24, 2024Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆70Dec 7, 2025Updated 7 months ago
- A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum☆16Jan 28, 2026Updated 5 months ago
- ☆15Nov 29, 2023Updated 2 years ago
- Fast PBC wrapping and unwrapping for VMD☆27Nov 25, 2024Updated last year
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆18Jul 2, 2026Updated 2 weeks ago
- MBX is an energy and force calculator for data-driven many-body simulations.☆49Updated this week
- 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.
- Useful tools written for Gaussian (an electronic structure program for computational chemistry)☆32Apr 20, 2017Updated 9 years ago
- Sparse Gaussian Process Potentials☆28May 8, 2026Updated 2 months ago
- MOPAC wrapper providing the PM6-ML correction☆23Mar 23, 2026Updated 3 months ago
- A wrapper for Multiwfn (Linux) written in bash.☆11Sep 10, 2019Updated 6 years ago
- SpectraFox is a free tool for managing, processing, and evaluating scientific scanning probe microscopy (SPM) data-files. For example, da…☆16Oct 18, 2023Updated 2 years ago
- Terminal based crystal structure viewer☆15Jun 19, 2026Updated last month
- Classical molecular simulation code☆173Jul 13, 2024Updated 2 years ago