Pinned Repositories
alphafold
Open source code for AlphaFold.
Auto_AutoDock-GPU
Tools that help high-throughput protein-ligand docking in batch mode using AutoDock-GPU.
AutoDock-GPU
AutoDock for GPUs using OpenCL
AutoDockTools_py3
Python3 translation of AutoDockTools
awesome-chemistry-datasets
overview of datasets for ML in chemistry
awesome-legal
Awesome free legal documents for companies
bio-transformers
bio-transformers is a wrapper on top of the ESM/Protbert model, trained on millions on proteins and used to predict embeddings.
chemfilter
Desktop app for using Transformer-CNN ADMETox models
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
DiffSBDD
A Euclidean diffusion model for structure-based drug design.
DNA2RNA's Repositories
DNA2RNA/alphafold
Open source code for AlphaFold.
DNA2RNA/Auto_AutoDock-GPU
Tools that help high-throughput protein-ligand docking in batch mode using AutoDock-GPU.
DNA2RNA/AutoDock-GPU
AutoDock for GPUs using OpenCL
DNA2RNA/AutoDockTools_py3
Python3 translation of AutoDockTools
DNA2RNA/awesome-chemistry-datasets
overview of datasets for ML in chemistry
DNA2RNA/awesome-legal
Awesome free legal documents for companies
DNA2RNA/bio-transformers
bio-transformers is a wrapper on top of the ESM/Protbert model, trained on millions on proteins and used to predict embeddings.
DNA2RNA/chemfilter
Desktop app for using Transformer-CNN ADMETox models
DNA2RNA/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
DNA2RNA/DiffSBDD
A Euclidean diffusion model for structure-based drug design.
DNA2RNA/eToxPred
A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.
DNA2RNA/Fast-NW-and-SW-Pairwise-alignment-using-numba-JIT
This project includes Needleman-Wunsch and Smith-Waterman algorithms and their afine gap variations (Gotoh) written to work with Cython, PyPy and Numba. Numba JIT shows greater performance. For Best performance use gotoh_jit.py to get only the best score and use gotoh_jit_traceback to get the best alignment
DNA2RNA/glycosylator
Framework for the rapid modeling glycans and glycoproteins.
DNA2RNA/gpmodel
Functions and classes for doing Gaussian process models of proteins
DNA2RNA/grover
This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
DNA2RNA/MMseqs2
MMseqs2: ultra fast and sensitive search and clustering suite
DNA2RNA/models
Trained caffe models
DNA2RNA/MolecularTransformerEmbeddings
Code and data for the Transformer neural network trained to translate between molecular text representations and create molecular embeddings.
DNA2RNA/molformer
Repository for MolFormer
DNA2RNA/OpenMM-PMF
Code for computing PMFs. Directly used to compute ion diffusion barriers through pores in graphene sheets.
DNA2RNA/PredicTF
DNA2RNA/Promotech
Machine-learning-based general bacterial promoter prediction tool.
DNA2RNA/Segment-Anything-with-Webcam-in-Real-Time-with-FastSAM
Segment Anything with Webcam in Real-Time with FastSAM
DNA2RNA/slurm-gcp
Slurm on Google Cloud Platform
DNA2RNA/tf-bind-transformer
A repository with exploration into using transformers to predict DNA ↔ transcription factor binding
DNA2RNA/TransDTI
TransDTI: Transformer-based language models for estimating DTIs and building a drug-recommendation workflow
DNA2RNA/TransVAE
A Transformer Based VAE Architecture for De Novo Molecular Design
DNA2RNA/Vina-GPU
A heterogeneous OpenCL implementation of AutoDock Vina