A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.
☆17Feb 4, 2025Updated last year
Alternatives and similar repositories for LumiNet
Users that are interested in LumiNet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…☆22Aug 18, 2025Updated 7 months ago
- EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency☆12Mar 28, 2024Updated 2 years ago
- ☆21Dec 11, 2024Updated last year
- python code for Multi-Coordinate Driving (MCD) method☆15Jul 16, 2024Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆32May 22, 2025Updated 10 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆11Aug 13, 2025Updated 7 months ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆16Sep 13, 2025Updated 6 months ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 11 months ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆30Dec 3, 2025Updated 4 months ago
- Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)☆30Apr 2, 2025Updated last year
- MDverse web scrapper 🔎🔧📄☆15Feb 21, 2026Updated last month
- Exploring QSAR Models for Activity-Cliff Prediction☆23May 17, 2024Updated last year
- Molecular dynamics package designed for the SIESTA DFT code.☆17Nov 10, 2025Updated 5 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Official implementation of "BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design" (Advan…☆30Jul 24, 2025Updated 8 months ago
- ☆20Jul 21, 2023Updated 2 years ago
- ☆21Oct 2, 2024Updated last year
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Oct 28, 2024Updated last year
- ☆16Dec 24, 2016Updated 9 years ago
- DeepViscosity is a deep learning ANN model developed to predict high concentrated monoclonal antibody viscosity classes (Low <= 20cps, Hi…☆23Feb 23, 2026Updated last month
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated last year
- ASGARD is a tool that allows via an automated MD workflow to perform MD protein or protein-ligand complex analysis and to generate the co…☆18Jul 11, 2024Updated last year
- ☆27Mar 3, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Structure-based drug design based on Retrieval Augmented Generation☆26Nov 7, 2025Updated 5 months ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆17Jun 14, 2024Updated last year
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆45Oct 2, 2025Updated 6 months ago
- bakerlab pymol scripts☆26Feb 6, 2020Updated 6 years ago
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆20Sep 4, 2025Updated 7 months ago
- MMTSB Tool Set☆33Jan 26, 2026Updated 2 months ago
- An Integrated VMD Graphical User Interface for Molecular Packing☆32Dec 28, 2024Updated last year
- graph generative model for molecule☆42Dec 17, 2019Updated 6 years ago
- 🖥️ Terminal Use is a standalone agent designed to handle and execute shell commands based on user queries.☆28May 16, 2025Updated 10 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- Open Source Antibiotics Series 2☆10Jan 23, 2023Updated 3 years ago
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆33Updated this week
- PIGNet source code☆55Feb 13, 2022Updated 4 years ago
- The official repository of Uni-pKa☆96Apr 1, 2025Updated last year
- ☆10Dec 20, 2023Updated 2 years ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆21Jan 4, 2025Updated last year