chavesejf / PBEELinks
A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes
☆43Updated this week
Alternatives and similar repositories for PBEE
Users that are interested in PBEE are comparing it to the libraries listed below
Sorting:
- Modelling protein conformational landscape with Alphafold☆53Updated 2 months ago
- ☆50Updated 9 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated 2 weeks ago
- Structure prediction and design of proteins with noncanonical amino acids☆108Updated last week
- mdml: Deep Learning for Molecular Simulations☆47Updated 5 months ago
- A benchmark for 3D biomolecular structure prediction models☆66Updated 5 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆68Updated 7 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆56Updated 5 months ago
- Quick mapping of Uniprot sequences to PDB structures☆34Updated 7 months ago
- Structure prediction of alternative protein conformations☆80Updated 8 months ago
- ☆35Updated 2 years ago
- ☆69Updated last year
- ☆51Updated 5 months ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆48Updated 3 months ago
- dMaSIF implementation for google colab☆34Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆40Updated last week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
- Code for the paper "Learning to engineer protein flexibility".☆22Updated last month
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆23Updated last year
- Extension of ThermoMPNN for double mutant predictions☆43Updated 3 weeks ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆30Updated 10 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 3 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated 3 weeks ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 4 months ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆37Updated last year
- ☆51Updated 7 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆37Updated 4 months ago
- ☆50Updated 3 months ago