a-r-j / CPDBLinks
Cython implementation of PDB -> DataFrame parsing
☆23Updated 2 years ago
Alternatives and similar repositories for CPDB
Users that are interested in CPDB are comparing it to the libraries listed below
Sorting:
- Clusters protein chains based on CA distance difference☆14Updated 4 months ago
- A 3D-equivariant neural network for protein structure accuracy estimation☆18Updated 2 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆20Updated 2 years ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering (https://doi.org/10.1016/j.cels.2023…☆20Updated 10 months ago
- A thin wrapper around ProteinMPNN for convenient sampling without having to write out or consume files☆11Updated last year
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Updated 10 months ago
- Code for the paper "Learning to engineer protein flexibility".☆18Updated 2 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆43Updated last week
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆46Updated last week
- ☆27Updated last week
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆27Updated last year
- CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes☆34Updated last week
- Fast and accurate molecular docking with an AI pose scoring function☆40Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆43Updated 7 months ago
- This is the official code repository for the paper FLOP: Tasks for Fitness Landscapes Of Protein wildtypes by Groth et al.☆22Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 5 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆32Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆29Updated last year
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆46Updated 2 months ago
- Python package to atom map, correct and suggest enzymatic reactions☆38Updated last year
- Generative diverse protein backbones by protein language model☆32Updated 6 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆65Updated 3 months ago
- Code for "A Deep Learning Framework for Flexible Docking and Design"☆16Updated 2 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- ☆48Updated 5 months ago
- ☆12Updated 6 months ago
- ☆31Updated 11 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year