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:
- Official code for "Integration of pre-trained protein language models into geometric deep learning networks"☆23Updated 6 months ago
- ☆33Updated 9 months ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆111Updated 2 years ago
- Knowledge graph enhanced LLM for binding affinity prediction☆14Updated last year
- ☆108Updated 2 years ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆59Updated last year
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆15Updated 3 years ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated 2 years ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆258Updated 7 months ago
- RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching☆78Updated last year
- ☆144Updated 4 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆122Updated last week
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆71Updated last year
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆80Updated last year
- ☆96Updated last year
- ☆41Updated 6 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆119Updated 3 weeks ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆49Updated 2 years ago
- Pose checks for 3D Structure-based Drug Design methods☆92Updated last year
- ☆130Updated 3 years ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆38Updated 2 years ago
- ☆53Updated 6 months ago
- ARES implement in PyTorch☆15Updated last year
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆77Updated 2 years ago
- ☆208Updated last year
- LM-GVP: A Generalizable Deep Learning Framework for Protein Property Prediction from Sequence and Structure☆65Updated last year
- 🧬 Advanced hybrid language model for directed protein evolution. (NeurIPS 2024)☆143Updated 6 months ago
- Vabs-Net: Pre-Training Protein Bi-level Representation Through Span Mask Strategy On 3D Protein Chains☆17Updated last year
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆158Updated 4 years ago
- Pretrainable geometric graph neural network for antibody affinity maturation☆70Updated 9 months ago