mabsilico / pdb_toolkitLinks
a project to manipulate pdb files
☆10Updated last year
Alternatives and similar repositories for pdb_toolkit
Users that are interested in pdb_toolkit are comparing it to the libraries listed below
Sorting:
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- Official code for "Integration of pre-trained protein language models into geometric deep learning networks"☆21Updated last month
- ☆30Updated 4 months ago
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆13Updated 3 years ago
- ☆136Updated last week
- ARES implement in PyTorch☆15Updated last year
- ☆106Updated 2 years ago
- A curated list of papers and resources on Structure-Based Drug Design (SBDD)☆9Updated last year
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆36Updated last year
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆42Updated 8 months ago
- ☆92Updated 9 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆39Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆102Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆112Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆63Updated 2 months ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆46Updated 2 years ago
- Reaction-Conditioned Virtual Screening of Enzymes☆35Updated 2 months ago
- 🧬 Fusion of protein sequence and structural information, using denoising pre-training network for zero-shot protein engineering (eLife 2…☆71Updated 2 months ago
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆62Updated 11 months ago
- ☆43Updated 2 months ago
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆48Updated last month
- Ligand Binding Site detection using Deep Learning☆106Updated 3 months ago
- Pose checks for 3D Structure-based Drug Design methods☆88Updated 9 months ago
- ☆37Updated last year
- Official implementation of CP-Composer. It is the released code of 《Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints》…☆16Updated last week
- Awesome De novo drugs design papers☆89Updated last year
- Pretrainable geometric graph neural network for antibody affinity maturation☆60Updated 4 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated last year
- ☆44Updated 2 years ago