☆26Jul 23, 2024Updated last year
Alternatives and similar repositories for plants_book
Users that are interested in plants_book are comparing it to the libraries listed below
Sorting:
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆30Aug 27, 2024Updated last year
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆13Jul 27, 2024Updated last year
- Computation of the drug-target relative residence times from RAMD simulations☆21Aug 29, 2024Updated last year
- ☆20Dec 15, 2025Updated 2 months ago
- Dock organometallic compounds to proteins/DNA/biomolecules☆19May 26, 2025Updated 9 months ago
- ☆23Jul 27, 2023Updated 2 years ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated last year
- Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling☆42May 1, 2023Updated 2 years ago
- A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM☆60Jan 21, 2026Updated last month
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- an integrated tool for molecular docking and virtual screening☆77Jun 19, 2025Updated 8 months ago
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆84Nov 12, 2020Updated 5 years ago
- Machine learning approach to detect whether patien has the diabetes or not. Data cleaning, visualization, modeling and cross validation a…☆112Nov 26, 2023Updated 2 years ago
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆121Feb 8, 2026Updated 3 weeks ago
- Ant Colony Optimization Algorithm using Python.☆158Feb 28, 2021Updated 5 years ago
- Resources, Code, and Other things I use to teach Cheminformatics.☆176Dec 7, 2024Updated last year
- A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…☆178Oct 6, 2025Updated 5 months ago
- OpenMM tutorial for the MSBS course☆188Updated this week
- A Python wrapper for PaDEL-Descriptor software☆224Apr 28, 2025Updated 10 months ago
- Visual Interactive Analysis of Molecular Dynamics☆317Feb 27, 2026Updated last week
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆293Sep 22, 2023Updated 2 years ago
- 🚂 Python API for Emma's Markov Model Algorithms 🚂☆338Sep 11, 2023Updated 2 years ago
- A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.☆333Jan 25, 2026Updated last month
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆369Apr 17, 2024Updated last year
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆405May 17, 2023Updated 2 years ago
- A Euclidean diffusion model for structure-based drug design.☆486Jun 25, 2025Updated 8 months ago
- Semiempirical Extended Tight-Binding Program Package☆764Jan 30, 2026Updated last month
- A deep learning framework for molecular docking☆865Feb 26, 2026Updated last week
- JASP aims to be a complete statistical package for both Bayesian and Frequentist statistical methods, that is easy to use and familiar to…☆935Updated this week
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆968Updated this week
- Lectures for INFO8010 Deep Learning, ULiège☆1,280Feb 27, 2026Updated last week
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,446May 2, 2025Updated 10 months ago
- Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology☆6,574Updated this week