deepchem / deepbioLinks
Deep Learning tools For Biology
☆10Updated 3 years ago
Alternatives and similar repositories for deepbio
Users that are interested in deepbio are comparing it to the libraries listed below
Sorting:
- Send data to and from pymol from a remote server (e.g. a cluster running deep learning workflows)☆36Updated 11 months ago
- Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES☆12Updated 2 years ago
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆52Updated 9 months ago
- Language models for drug discovery using torchrl☆113Updated 4 months ago
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆32Updated 2 years ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆91Updated last year
- 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
- Molecular Out-Of-Distribution☆39Updated 9 months ago
- ☆73Updated 2 years ago
- In-silico design pipeline for evaluating protein structure diffusion models.☆29Updated last year
- protein conformational spaces meet machine learning☆50Updated last month
- Machine Learning dataset splitting for life sciences.☆36Updated last year
- TMol☆50Updated last week
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Updated 3 years ago
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆67Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Updated 7 months ago
- Bayesian Optimization with Pretrained Protein Sequence Models☆56Updated last year
- Simple, lightweight package for genetic algorithms on molecules☆63Updated last year
- FrameDiPT: an SE(3) diffusion model for protein structure inpainting☆58Updated 2 years ago
- Structure prediction of alternative protein conformations☆80Updated 11 months ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
- A list of manuscripts/tools using diffusion on biological enttieis☆98Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated 2 years ago
- A benchmark for 3D biomolecular structure prediction models☆69Updated 8 months ago
- A repo for transferable sampling of molecular systems☆36Updated last month
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆53Updated 6 months ago
- Run OpenMM with forces provided by any Python program☆38Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆56Updated last month
- RNAPro is a state-of-the-art RNA 3D folding model developed in collaboration with the hosts and winners of the Stanford RNA 3D Folding Ka…☆51Updated 3 weeks ago
- A conditionally adapted protein language model for the generation of enzymes☆23Updated last year