A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
☆14Dec 2, 2023Updated 2 years ago
Alternatives and similar repositories for MultiPPIMI
Users that are interested in MultiPPIMI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- metallocage construction and binding affinity calculations☆16May 30, 2023Updated 2 years ago
- ☆11Sep 2, 2024Updated last year
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆22Nov 6, 2024Updated last year
- DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping☆36Oct 2, 2023Updated 2 years ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Apr 12, 2019Updated 6 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38May 16, 2025Updated 10 months ago
- Analysis and design of protein-protein or protein-peptide interactions based on atlas database.☆15Sep 27, 2022Updated 3 years ago
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆11Sep 6, 2024Updated last year
- ☆11May 16, 2020Updated 5 years ago
- ☆15Apr 30, 2025Updated 10 months ago
- a protein descriptor for site prediction☆16Aug 9, 2019Updated 6 years ago
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆14Jan 26, 2022Updated 4 years ago
- ☆14Jan 8, 2025Updated last year
- ☆17Sep 14, 2022Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Clusters protein chains based on CA distance difference☆16Mar 18, 2026Updated last week
- ☆14May 16, 2025Updated 10 months ago
- Multi-Teacher Distillation for Protein embedding☆12May 31, 2024Updated last year
- SE(3)-equivariant point cloud networks for virtual screening☆24Apr 29, 2023Updated 2 years ago
- Code for paper 'Accelerating Antimicrobial Peptide Discovery with Latent Sequence-Structure Model'☆13Mar 21, 2024Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆37Jan 23, 2024Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆41Jun 6, 2025Updated 9 months ago
- ☆11Jul 15, 2021Updated 4 years ago
- This repository contains the codebase for the paper "Leveraging ancestral sequence reconstruction for protein representation learning".☆12Apr 13, 2025Updated 11 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Official implementation of CP-Composer. It is the released code of 《Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints》…☆23Aug 6, 2025Updated 7 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆19Nov 28, 2023Updated 2 years ago
- The standalone version / cli-tool of SPOT-Contact-Single available for public use for research purposes.☆16Feb 1, 2024Updated 2 years ago
- Rapid and accurate ancestry inference using SNVs.☆28Aug 15, 2025Updated 7 months ago
- Machine Learning Designs Non-Hemolytic Antimicrobial Peptides☆35Mar 19, 2021Updated 5 years ago
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆19Aug 22, 2024Updated last year
- An open library to work with pharmacophores.☆49Jul 6, 2023Updated 2 years ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆325Jan 10, 2024Updated 2 years ago
- DISTEVAL: A web-server for evaluating protein inter-residue distances☆18Mar 7, 2022Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Interface-aware molecular generative framework for protein-protein interaction modulators☆19Dec 22, 2024Updated last year
- Graph Network for protein-protein interface including language model features☆34Mar 26, 2024Updated 2 years ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆39Nov 9, 2023Updated 2 years ago
- ☆46Mar 11, 2024Updated 2 years ago
- MpbPPI: A multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein-protein …☆18Oct 6, 2024Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆26Oct 16, 2023Updated 2 years ago
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated 9 months ago