quantaosun / Zinc-MillionView external linksLinks
Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready for a large scale virtual screening for certain protein target.
☆12Dec 29, 2023Updated 2 years ago
Alternatives and similar repositories for Zinc-Million
Users that are interested in Zinc-Million are comparing it to the libraries listed below
Sorting:
- ☆10Apr 22, 2024Updated last year
- Open Source, Prepare a molecular dynamic simulation from scratch without installing local VMD, use LigParGen for topology, it is one of t…☆13Jul 3, 2023Updated 2 years ago
- ☆15Oct 28, 2025Updated 3 months ago
- [AAAI 2026] TrajEvo: Designing Trajectory Prediction Heuristics via LLM-driven Evolution☆13Aug 1, 2025Updated 6 months ago
- [READ ONLY] Subtree split of Flarum statistics extension.☆13Jan 30, 2026Updated 2 weeks ago
- This script is designed for evaluating the binding affinity between a protein target and a small molecule, by calculating the binding fre…☆14May 1, 2023Updated 2 years ago
- ☆12Dec 15, 2020Updated 5 years ago
- A python script for PyMol to make protein-ligand interaction images.☆18Apr 1, 2025Updated 10 months ago
- OPUS-TASS: A Protein Backbone Torsion Angles and Secondary Structure Predictor Based on Ensemble Neural Networks☆10Jul 9, 2020Updated 5 years ago
- ☆10Oct 2, 2022Updated 3 years ago
- A tool for the analysis of pathways sampled in molecular dynamics simulations based on Self-Organizing Maps (SOM)☆10Jan 26, 2022Updated 4 years ago
- Code repo for Spatio-Temporal Denoising Graph Autoencoder (STD-GAE)☆12Sep 6, 2022Updated 3 years ago
- Arima Capture HiC pipeline (Arima-CHiC)☆11May 16, 2024Updated last year
- Gapless, reference-quality Southern Han Chinese genome assembly and annotation☆12Oct 24, 2022Updated 3 years ago
- Extracts fastq reads for specified barcode(s) from one or multiple FASTQ files☆13Jan 31, 2016Updated 10 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- Build a bridge that connects beginners to deep reinforcement learning.☆11Sep 23, 2024Updated last year
- Here, we report telomere-to-telomere (T2T) gap-free genomes for domesticated pepper Capsicum annuum and wild relative Capsicum rhomboideu…☆13Feb 18, 2024Updated last year
- MGI sequence platform data multiplexing tool☆12Sep 11, 2019Updated 6 years ago
- A supervised learning model based on Graph Neural Network to predict gene co-expression from chromatin contacts☆12Mar 22, 2023Updated 2 years ago
- model builder for molecular dynamics simulations☆16Feb 16, 2023Updated 3 years ago
- Dehazing algorithm based on a research paper titled "Single Image Haze Removal Using Dark Channel Prior". Published by: Kaiming He, Jian …☆15Jan 8, 2017Updated 9 years ago
- Scripts used for virtual screening of small molecule inhibitors from ZINC database using Autodock Vina☆16Aug 25, 2014Updated 11 years ago
- Please use OFFICIAL repo: https://github.com/alanwilter/acpype☆13Dec 30, 2019Updated 6 years ago
- ☆13Feb 20, 2021Updated 4 years ago
- End-to-end pipeline for segmenting cell nuclei on histology slides☆16Jul 19, 2022Updated 3 years ago
- A simple tool to perform the calculation and visualization of the average chromatin A/B compartment.☆14Mar 9, 2023Updated 2 years ago
- This is a list of the best cheat sheets I have found for software engineering, data science and machine learning.☆13Mar 5, 2020Updated 5 years ago
- Genomics 3D Visualizer☆14Jun 14, 2024Updated last year
- an efficient Hi-C data processing pipeline☆17Mar 26, 2024Updated last year
- An unbiased method for genome-wide CBE off-targets assessment☆13Mar 9, 2023Updated 2 years ago
- Graph Neural Network model for survival analysis from multi-omics data☆14Mar 9, 2022Updated 3 years ago
- RND1: Scaling Diffusion Language Models☆173Jan 12, 2026Updated last month
- Python reimplementation of hicrep with compatibility for sparse matrices☆18Dec 18, 2022Updated 3 years ago
- Ligand-based Virtual Screening using Deep Learning☆16Mar 25, 2025Updated 10 months ago
- DeepTTC: a transformer-based model for predicting cancer drug response☆19Jun 1, 2023Updated 2 years ago
- 使用opencv完成的简易图像拼接程序☆16May 10, 2023Updated 2 years ago
- ALLSorts is a B-Cell Acute Lymphoblastic Leukemia (B-ALL) subtype classifier. From gene expression counts to over 18 subtypes.☆17Jul 30, 2025Updated 6 months ago
- Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…☆22Aug 18, 2025Updated 5 months ago