ELELAB / LipidDynLinks
repository associated to our pipeline for lipid dynamics
☆12Updated last year
Alternatives and similar repositories for LipidDyn
Users that are interested in LipidDyn are comparing it to the libraries listed below
Sorting:
- ☆10Updated last year
- ☆15Updated 3 years ago
- drugdesign.org source of truth☆24Updated last year
- CheMeleon Descriptor-based Foundation Model☆65Updated this week
- Machine learning accelerated docking screens☆56Updated 5 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆66Updated 4 months ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆47Updated 5 months ago
- ☆12Updated last year
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆102Updated 8 months ago
- Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)☆25Updated 2 months ago
- Contributed and additional nodes for maize☆15Updated 3 months ago
- ☆14Updated 2 years ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆84Updated 2 weeks ago
- Converts AlphaFold distograms into distance matrices and saves them into a number of formats☆12Updated 2 years ago
- An interoperable Python framework for biomolecular simulation.☆118Updated last week
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆31Updated this week
- Repository for the SCS Spring School on Digital Chemistry☆20Updated 2 years ago
- Collection of interaction and molecule parameters for the Martini3 force-field☆16Updated 2 years ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆35Updated last week
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆51Updated 3 weeks ago
- LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories☆12Updated 2 years ago
- Useful functions for working with small molecules☆53Updated 6 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆40Updated last week
- MD-ligand-receptor is a bioinformatics pipeline written in Python for analyzing non-covalent ligand-receptor interactions in 3D structure…☆9Updated 2 years ago
- ☆67Updated last month
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…☆16Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆40Updated last year
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Updated 11 months ago
- The OpenMM Cookbook and Tutorials☆45Updated last year
- Sire Molecular Simulations Framework☆59Updated last week