A Python spider for TCMSP
☆44Feb 24, 2026Updated 5 months ago
Alternatives and similar repositories for TCMSP-Spider
Users that are interested in TCMSP-Spider are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This crawler can automatically crawl the target information of various molecular targets prediction websites, including SwissTargetPredic…☆24Nov 11, 2023Updated 2 years ago
- 这是一个基于AutoDock-GPU的自动化批量对接程序,只需输入小分子的smiles结构文档(支持批量输入)并且提供蛋白质的网格文件(maps.fld)即可自动完成小分子预处理,分子对接,结果提取等步骤。This project is an automated batch…☆26Oct 13, 2025Updated 9 months ago
- A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening☆29Feb 24, 2026Updated 5 months ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- A Bio2BEL package for DrugBank (https://www.drugbank.ca)☆10Dec 14, 2020Updated 5 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A Model Enabling the Converting from Multi-dimensional NMR Quantum Representations into Structures☆17Jun 17, 2025Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆64Jul 24, 2026Updated last week
- A software package for performing and visualising radial multivariable Mendelian randomization analyses☆13Jul 8, 2026Updated 3 weeks ago
- A simple machine learning model for small-molecule target prediction in Python.☆28Jan 22, 2021Updated 5 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆22Sep 23, 2025Updated 10 months ago
- Code repository for "Prioritizing Repurposable Drugs for SARS-CoV-2 using Deep Learning and Population-based Validation"☆16May 2, 2025Updated last year
- Sample models for the PhysiCell grammar / rules paper☆34Jul 21, 2025Updated last year
- ☆10Jul 9, 2024Updated 2 years ago
- 搜集关于黑苹果的内容☆11Aug 1, 2021Updated 5 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.
- Multiple trajectory alignment of time-series data☆14Oct 14, 2023Updated 2 years ago
- Write reproducible code for getting and processing ChEMBL☆93Sep 14, 2025Updated 10 months ago
- Physico-chemical and biological property prediction for small molecules☆12May 3, 2022Updated 4 years ago
- ☆16Apr 11, 2022Updated 4 years ago
- A novel approach to the classification of antimicrobial peptides (AMPs) using pre-trained language models to create contextual vectorized…☆18Sep 10, 2024Updated last year
- Code for paper 'Accelerating Antimicrobial Peptide Discovery with Latent Sequence-Structure Model'☆13Mar 21, 2024Updated 2 years ago
- 中医古籍语料☆36Jun 25, 2020Updated 6 years ago
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆15Sep 24, 2022Updated 3 years ago
- A repository on resources about Mendelian Randomization☆10Jul 9, 2018Updated 8 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.
- Framework for analysis of cell-types and Ligand-Receptor cooccurrences☆21Feb 13, 2023Updated 3 years ago
- ☆10Mar 17, 2021Updated 5 years ago
- ☆12Oct 5, 2023Updated 2 years ago
- Genome-wide association studies identify genetic variations associated with a target disease or trait. Researchers and clinicians can use…☆11Apr 12, 2024Updated 2 years ago
- This is a python script that allows for batch processing of AlphaFold3 output files☆17Oct 13, 2024Updated last year
- This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.☆15Jul 25, 2023Updated 3 years ago
- Screening protocol with AUTODOCK-GPU☆14Feb 27, 2023Updated 3 years ago
- Topological transformer for protein-ligand complex interaction prediction.☆46Nov 25, 2025Updated 8 months ago
- ☆17Jul 28, 2022Updated 4 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.
- This repository contains code for the evaluation of epithelial-to-mesenchymal transition states in cancer.☆13Jan 24, 2023Updated 3 years ago
- ☆27Jul 22, 2026Updated last week
- ☆14Jun 22, 2022Updated 4 years ago
- Recent application of graph neural network in drug discovery☆14Mar 19, 2020Updated 6 years ago
- ☆26Mar 31, 2026Updated 4 months ago
- Bib'23: Improved the Heterodimer Protein Complex Prediction with Protein Language Models☆15Dec 21, 2023Updated 2 years ago
- Python scripts to convert CGenFF stream files to GROMACS format☆53Apr 27, 2026Updated 3 months ago