Study materials about "Deep Learning for Molecular Applications".
☆15Aug 5, 2019Updated 6 years ago
Alternatives and similar repositories for ACE-Team-DLstudy
Users that are interested in ACE-Team-DLstudy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Unofficial Implementation of: "Exploring Randomly Wired Neural Networks for Image Recognition"☆11Nov 5, 2025Updated 6 months ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- ☆12Jun 3, 2019Updated 6 years ago
- ☆12Nov 15, 2020Updated 5 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Mar 9, 2021Updated 5 years ago
- ☆11Jan 2, 2021Updated 5 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in …☆20Aug 30, 2022Updated 3 years ago
- A library to perform targeted free energy perturbation with normalizing flows.☆11Sep 1, 2025Updated 8 months ago
- ☆13Dec 18, 2019Updated 6 years ago
- An MPI based parallel implementation of Autodock Vina☆17Apr 3, 2020Updated 6 years ago
- R package implementing a simple method for CD8 T cell epitope prediction by MHC class I binding for HLA and other MHC-I molecules.☆15Sep 21, 2020Updated 5 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 7 years ago
- Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…☆26Oct 1, 2020Updated 5 years ago
- PyTorch implementation for "Generative Modeling on Manifolds Through Mixture of Riemannian Diffusion Processes" (ICML 2024).☆13Jul 21, 2024Updated last year
- ☆11Sep 16, 2023Updated 2 years ago
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆19Jun 14, 2024Updated last year
- About Code release for "FlashBias: Fast Computation of Attention with Bias" (NeurIPS 2025), https://arxiv.org/abs/2505.12044☆28Nov 17, 2025Updated 5 months ago
- Machine learning workflows for analyzing high-throughput protein data☆27Nov 22, 2016Updated 9 years ago
- ☆13Sep 13, 2023Updated 2 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Jan 28, 2022Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- 3D ligand-based pharmacophore modeling☆53Apr 18, 2026Updated 2 weeks ago
- Aligned Diffusion Schroedinger Bridges (UAI 2023)☆14Sep 18, 2025Updated 7 months ago
- This is a deep learning model used to predict molecular energy☆13May 30, 2019Updated 6 years ago
- Bivariate Shapley is a Shapley-based method of identifying directional feature interactions and feature redundancy☆20May 19, 2025Updated 11 months ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆45Oct 2, 2025Updated 7 months ago
- python code for Multi-Coordinate Driving (MCD) method☆15Jul 16, 2024Updated last year
- A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.☆17Feb 4, 2025Updated last year
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆15Jun 9, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Official Code Repository for the paper "Generative Modeling on Manifolds Through Mixture of Riemannian Diffusion Processes" (ICML 2024).☆16Jul 21, 2024Updated last year
- All-atom inverse protein folding through discrete flow matching (ICML2025)☆31Mar 22, 2026Updated last month
- Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on☆25Jun 17, 2024Updated last year
- ☆12Mar 24, 2023Updated 3 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆31May 29, 2021Updated 4 years ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated last year
- ☆14Aug 9, 2024Updated last year