SailVina重构增强版
☆107Apr 21, 2024Updated 2 years ago
Alternatives and similar repositories for SailVina
Users that are interested in SailVina are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- sailVina用于Linux的反向对接脚本☆10Feb 14, 2021Updated 5 years ago
- Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicate…☆47Jul 24, 2024Updated 2 years ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 2 years ago
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆116Aug 18, 2026Updated last month
- AutoDock Vina☆1,075Aug 11, 2026Updated last month
- 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.
- This crawler can automatically crawl the target information of various molecular targets prediction websites, including SwissTargetPredic…☆24Nov 11, 2023Updated 2 years ago
- PDBFixer fixes problems in PDB files☆672Mar 10, 2026Updated 6 months ago
- Watvina is not all you need for docking, but with torsion, water, pharmacophore, scaffold, post-minimization functions.☆74Aug 6, 2026Updated last month
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- ☆34Mar 11, 2023Updated 3 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆717Jul 3, 2026Updated 2 months ago
- A Python spider for TCMSP☆44Feb 24, 2026Updated 6 months ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆49Jul 22, 2026Updated 2 months ago
- Collected scripts for Pymol☆10Mar 18, 2015Updated 11 years 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.
- Accurately speed up AutoDock Vina☆175Sep 3, 2026Updated 2 weeks ago
- An accurate and universal protein-small molecule batch docking solution using Autodock Vina☆16Nov 20, 2024Updated last year
- Statistical Analysis of Docking Results and Scoring functions☆21Updated this week
- For the purpose of post progressing of MD carried by gromacs☆24Jul 2, 2025Updated last year
- tools for GROMACS☆150Jul 11, 2025Updated last year
- ☆150Nov 18, 2018Updated 7 years ago
- an integrated tool for molecular docking and virtual screening☆85Jun 12, 2026Updated 3 months ago
- 3D_Molecular_Generation☆116Nov 23, 2024Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆36Aug 17, 2023Updated 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.
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆175Oct 1, 2024Updated last year
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆32Aug 27, 2024Updated 2 years ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆67Aug 2, 2025Updated last year
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆21Oct 19, 2021Updated 4 years ago
- ☆30Apr 2, 2026Updated 5 months ago
- This package is a python warpper for CFM-ID☆13Aug 26, 2022Updated 4 years ago
- parKVFinder: thread-level parallel KVFinder☆16May 9, 2025Updated last year
- volume calculation and segmentation☆39May 20, 2024Updated 2 years ago
- Accurate ADMET Prediction with XGBoost☆43Mar 25, 2023Updated 3 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.
- Code for "De novo molecular design with chemical language models"☆13Nov 10, 2021Updated 4 years ago
- ☆26Jul 14, 2024Updated 2 years ago
- AutoDock for GPUs and other accelerators☆614Aug 11, 2026Updated last month
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆89Sep 19, 2025Updated last year
- A nextflow pipeline for performing bacterial RNA-Seq data analysis☆14Updated this week
- Easy to get started with molecular dynamics simulation.☆68May 19, 2026Updated 4 months ago
- An interface program between Gaussian and CFour.☆14Sep 18, 2023Updated 3 years ago