☆34Jun 29, 2024Updated last year
Alternatives and similar repositories for Dynaformer
Users that are interested in Dynaformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆16Jan 5, 2024Updated 2 years ago
- Benchmarking code accompanying the release of `bioemu`☆56Nov 25, 2025Updated 4 months ago
- ☆65Jun 14, 2025Updated 9 months ago
- 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
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Jun 13, 2022Updated 3 years ago
- ☆37Jan 8, 2021Updated 5 years ago
- ☆20Oct 3, 2024Updated last year
- ☆41Mar 26, 2025Updated 11 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Dec 30, 2022Updated 3 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Aug 17, 2023Updated 2 years ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆17Jun 14, 2024Updated last year
- RNA Multiple Sequence Alignment☆50Jul 20, 2023Updated 2 years ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆57Dec 16, 2025Updated 3 months ago
- ☆21May 28, 2025Updated 9 months ago
- ☆40Sep 17, 2024Updated last year
- Adding hydrogens to molecular models☆59Nov 24, 2025Updated 4 months ago
- Dataset and package for working with protein-protein interactions in 3D☆105Apr 28, 2025Updated 10 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆63Jun 17, 2024Updated last year
- Water Network-Augmented Two-State model for Protein−Ligand Binding Affinity Prediction☆12Jun 10, 2023Updated 2 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 11 months ago
- ☆15Feb 18, 2025Updated last year
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering (https://doi.org/10.1016/j.cels.2023…☆22Aug 8, 2024Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆30Dec 3, 2025Updated 3 months ago
- Generating and scoring novel enzyme sequences with a variety of models and metrics☆72Feb 21, 2026Updated last month
- Structure prediction of alternative protein conformations☆83Feb 24, 2025Updated last year
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆44May 22, 2025Updated 10 months ago
- ☆17Sep 14, 2022Updated 3 years ago
- pytorch implementation of trDesign☆44Mar 19, 2021Updated 5 years ago
- ☆26May 9, 2022Updated 3 years ago
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆19Aug 22, 2024Updated last year
- 📐 Symmetry-corrected RMSD in Python☆112Dec 22, 2025Updated 3 months ago
- ☆13Dec 6, 2022Updated 3 years ago
- Deep convolutional networks for fold recognition☆22Nov 8, 2019Updated 6 years ago
- Conformational sampling for highly flexible proteins☆15Jan 31, 2025Updated last year
- ☆23Mar 9, 2026Updated 2 weeks ago
- An implementation of the Equivariant Graph Neural Network (EGNN) layer type for DGL-PyTorch.☆15Dec 27, 2022Updated 3 years ago
- Fusion models for Atomic and molecular STructures (FAST)☆92Jul 11, 2023Updated 2 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago