☆14Jan 11, 2022Updated 4 years ago
Alternatives and similar repositories for DEVELOP
Users that are interested in DEVELOP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆58Mar 14, 2024Updated 2 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22May 19, 2022Updated 4 years ago
- ☆11Sep 2, 2024Updated 2 years ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆28Oct 5, 2026Updated 3 weeks ago
- Molecular Property Prediction using GP with a SOAP kernel☆22Nov 16, 2020Updated 5 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.
- Paper for release☆11Sep 24, 2021Updated 5 years ago
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 6 months ago
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Sep 27, 2020Updated 6 years ago
- Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data☆12Sep 19, 2024Updated 2 years ago
- Novel molecules from a reference shape!☆84Jan 30, 2024Updated 2 years ago
- ☆39Jan 8, 2021Updated 5 years ago
- Protein surface topographical mapping tool☆29Aug 17, 2023Updated 3 years ago
- ☆14Dec 29, 2022Updated 3 years ago
- ☆141Nov 6, 2022Updated 3 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.
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Jan 12, 2021Updated 5 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Jul 13, 2026Updated 3 months ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Feb 27, 2022Updated 4 years ago
- ☆15Dec 4, 2023Updated 2 years ago
- ☆103Dec 19, 2022Updated 3 years ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- Deep generative models of voxel grids for structure-based drug discovery☆239Mar 10, 2023Updated 3 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 8 years ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Oct 2, 2026Updated 3 weeks ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆28Oct 30, 2023Updated 3 years ago
- a protein descriptor for site prediction☆16Aug 9, 2019Updated 7 years ago
- Assessing the impact of mutations on antibody-antigen binding affinity☆18Dec 7, 2020Updated 5 years ago
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆107Feb 25, 2021Updated 5 years ago
- This is a simple script to use [plip](https://github.com/pharmai/plip) to batch analysis of interactions between proteins and ligands tha…☆10Dec 23, 2020Updated 5 years ago
- ☆11Oct 3, 2026Updated 3 weeks ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆168Apr 7, 2023Updated 3 years ago
- A Deep-learning based dOcking decoy eValuation mEthod☆58May 12, 2023Updated 3 years ago
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Sep 28, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆206Feb 12, 2023Updated 3 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆24Apr 29, 2023Updated 3 years ago
- AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.☆21Apr 5, 2024Updated 2 years ago
- Partner specific prediction of protein binding sites☆10Mar 13, 2023Updated 3 years ago
- A distributed framework based on Monte Carlo tree search for accelerating molecular discovery.☆14Mar 20, 2018Updated 8 years ago
- ☆13Oct 21, 2018Updated 8 years ago
- Flexible Artificial Intelligence Docking☆20Aug 27, 2025Updated last year