arantir123 / MCGLPPIView external linksLinks
MCGLPPI and MCGLPPI++: Integration of molecular coarse-grained model into geometric representation learning framework for protein-protein complex property prediction
☆25Jan 8, 2025Updated last year
Alternatives and similar repositories for MCGLPPI
Users that are interested in MCGLPPI are comparing it to the libraries listed below
Sorting:
- 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
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- ☆15May 29, 2024Updated last year
- Synthetic Accessibility via Fragment Assembly Generation☆17Feb 1, 2026Updated 2 weeks ago
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆26Jul 16, 2024Updated last year
- ☆26Apr 14, 2024Updated last year
- ☆20Aug 5, 2025Updated 6 months ago
- Official repository of "Multi-level Interaction Modeling for Protein Mutational Effect Prediction"☆10Jun 30, 2024Updated last year
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Jun 13, 2022Updated 3 years ago
- The code for UniPMT☆18Mar 16, 2025Updated 10 months ago
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆17May 5, 2025Updated 9 months ago
- Baseline model for PPB-Affinity benchmark data☆34May 21, 2025Updated 8 months ago
- A unified cross-attention model for predicting antigen binding specificity to both HLA and TCR molecules☆11Jul 9, 2025Updated 7 months ago
- Conformational sampling for highly flexible proteins☆13Jan 31, 2025Updated last year
- ☆11Aug 26, 2024Updated last year
- ☆15Sep 9, 2025Updated 5 months ago
- A Deep Learning Framework for Allosteric Site Prediction☆15May 21, 2025Updated 8 months ago
- ☆16Sep 15, 2025Updated 5 months ago
- Research repository to the publication: Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molec…☆14Apr 2, 2024Updated last year
- Pretrainable geometric graph neural network for antibody affinity maturation☆71Mar 18, 2025Updated 10 months ago
- Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction☆16Jun 19, 2025Updated 7 months ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆40Nov 4, 2025Updated 3 months ago
- Code fo ICLR2025 paper "A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer"☆21Jul 18, 2025Updated 6 months ago
- No description yet.☆17Aug 8, 2024Updated last year
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆20Sep 28, 2024Updated last year
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆16Apr 7, 2025Updated 10 months ago
- ☆17Oct 27, 2024Updated last year
- ☆15Jul 9, 2024Updated last year
- Official Implementation of CompassDock☆21Oct 8, 2024Updated last year
- Epitope Prediction Pipeline and analysis tools built around AlphaFold 2☆20May 9, 2024Updated last year
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Jan 8, 2025Updated last year
- Flow-matching for coarse graining of miniproteins.☆19Nov 18, 2022Updated 3 years ago
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆42Oct 8, 2024Updated last year
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆52Jun 23, 2025Updated 7 months ago
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆27Dec 2, 2025Updated 2 months ago
- This is the official repository of paper - GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation (ICML2024)☆42Jun 17, 2024Updated last year
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆19Oct 31, 2025Updated 3 months ago
- ☆23Jun 10, 2025Updated 8 months ago
- Learning the language of protein-protein interactions☆131Jan 12, 2026Updated last month