☆36Jun 4, 2026Updated 4 months ago
Alternatives and similar repositories for Sobko_MCP_project
Users that are interested in Sobko_MCP_project are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Interactive command-line pre/post-processing copilot for the ABACUS DFT software (GPL-3.0)☆40Oct 1, 2026Updated 3 weeks ago
- python wrapper for fdmnes data input/output☆14Feb 16, 2026Updated 8 months ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆90Aug 4, 2026Updated 2 months ago
- An interface program between Gaussian and CFour.☆14Sep 18, 2023Updated 3 years ago
- A simple program to solve the Eyring Equation and first/second order kinetics.☆22Jun 23, 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.
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson.☆19Jun 26, 2026Updated 3 months ago
- do the performance test of ABACUS☆29Sep 16, 2026Updated last month
- AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG …☆209Oct 15, 2026Updated last week
- ☆10Jul 13, 2026Updated 3 months ago
- ABACUS开源软件的中文用户文档☆54Jul 31, 2026Updated 2 months ago
- Linear Response Method for Calculating U Values in VASP☆35Jul 24, 2025Updated last year
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- Multiwfn 驱动的计算化学波函数分析与可视化 Codex Skill 集合☆32Jul 9, 2026Updated 3 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆54Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- efficient TDDFT-ris based on MOKIT and PySCF☆21Jan 18, 2026Updated 9 months ago
- ☆10Aug 3, 2023Updated 3 years ago
- Repository for Multitask Toxicity with Contrastive Explanation☆14Sep 18, 2025Updated last year
- ☆56Jul 13, 2022Updated 4 years ago
- ☆33May 25, 2026Updated 4 months ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- An Integrated VMD Graphical User Interface for Molecular Packing☆34Dec 28, 2024Updated last year
- Get chemical SMILES strings (structures) based on the CAS numbers or the names of the chemicals.☆49Apr 14, 2022Updated 4 years ago
- Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction☆11Jun 16, 2026Updated 4 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ProteinFeatureAnalyzer extracts, analyzes and visualizes features from protein structures.☆14Mar 14, 2020Updated 6 years ago
- ☆30Jun 11, 2025Updated last year
- Data and script of Umbrella Sampling for molecular transmembrane☆14Jun 21, 2024Updated 2 years ago
- ☆160Sep 27, 2026Updated 3 weeks ago
- Utility to run RosettaCommons tools☆15May 5, 2026Updated 5 months ago
- Amateurish molecular electronic structure program.(for linux)☆25Nov 1, 2016Updated 9 years ago
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated 2 years ago
- Savoie Group's Yet Another Reaction Program for high-thoughput chemical reaction characterization☆39Updated this week
- Automated discovery of reaction Mechanisms and Kinetics☆38Oct 9, 2026Updated 2 weeks ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆53May 7, 2026Updated 5 months ago
- Tutorials on CP2K calculations☆68Dec 16, 2021Updated 4 years ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated 2 years ago
- CSA - Claude Science Assistant☆45Aug 25, 2026Updated last month
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 6 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆15May 16, 2026Updated 5 months ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 3 years ago