☆46Mar 11, 2024Updated 2 years ago
Alternatives and similar repositories for awesome-molecule-protein-pretrain-papers
Users that are interested in awesome-molecule-protein-pretrain-papers are comparing it to the libraries listed below
Sorting:
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Dec 2, 2023Updated 2 years ago
- [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models☆537Jun 17, 2023Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Jul 27, 2023Updated 2 years ago
- ☆29May 14, 2025Updated 10 months ago
- Code for "SToFM: a Multi-scale Foundation Model for Spatial Transcriptomics".☆43Sep 2, 2025Updated 6 months ago
- ☆139Jun 17, 2025Updated 9 months ago
- ☆63Oct 25, 2022Updated 3 years ago
- Source code for the paper 'FARM: Functional Group-Aware Representations for Small Molecules☆16Sep 18, 2025Updated 6 months ago
- ☆78Feb 11, 2025Updated last year
- A python package for performing GROMACS simulation ensembles☆17Feb 1, 2026Updated last month
- fine-tuning tutorial☆18Updated this week
- Times Square Sampling☆12Feb 24, 2023Updated 3 years ago
- ☆410Jan 21, 2026Updated last month
- A highly scalable and accurate inference of gene expression and structure for single-cell transcriptomes using semi-supervised deep learn…☆10May 19, 2021Updated 4 years ago
- Official repository for MolCRAFT series☆145Oct 27, 2025Updated 4 months ago
- It's a package for evaluation of predicted poses, right?☆74Feb 17, 2026Updated last month
- ☆20Aug 5, 2025Updated 7 months ago
- ☆16Feb 15, 2026Updated last month
- GWAS catalogue for Arabidopsis thaliana☆11Feb 29, 2024Updated 2 years ago
- ☆11May 27, 2022Updated 3 years ago
- Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data☆12Sep 19, 2024Updated last year
- Differentiable Euler Characteristic Transform☆17Jun 18, 2024Updated last year
- Graph Neural Networks to predict the cosmological parameters or the galaxy power spectrum from galaxy catalogs.☆19Jan 23, 2023Updated 3 years ago
- Code for the paper "Exploiting Pretrained Biochemical Language Models for Targeted Drug Design", to appear in Bioinformatics, Proceedings…☆17Feb 26, 2024Updated 2 years ago
- Graphical User Interface to control a potentiostat☆14Mar 27, 2023Updated 2 years ago
- ☆10Jun 10, 2024Updated last year
- ESM-driven Pocket Cross Similarity☆15Aug 11, 2025Updated 7 months ago
- POLYGON VAE For de novo Polypharmacology☆41Mar 5, 2025Updated last year
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆324Jan 10, 2024Updated 2 years ago
- ☆12Jul 2, 2025Updated 8 months ago
- Scorpius: Poisoning scientific knowledge using large language models☆11Aug 3, 2024Updated last year
- notebook repository☆12Jan 17, 2022Updated 4 years ago
- Gromacs Implementation of OPLS-AAM Force field☆15Aug 5, 2018Updated 7 years ago
- ☆39Jun 24, 2024Updated last year
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆19Aug 22, 2024Updated last year
- ☆25Apr 26, 2023Updated 2 years ago
- HOLMES: Health OnLine Model Ensemble Serving for Deep Learning Models in Intensive Care Units (KDD 2020)☆12Jan 25, 2021Updated 5 years ago
- Official Repository for the Uni-Mol Series Methods☆1,080May 29, 2025Updated 9 months ago
- Code for IJCAI'24 paper: Gradformer: Graph Transformer with Exponential Decay☆51Dec 10, 2024Updated last year