Notes for in-depth learning of basic concepts in python programming.
☆13Jul 26, 2022Updated 3 years ago
Alternatives and similar repositories for Python_Programming_Notes
Users that are interested in Python_Programming_Notes are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Mar 13, 2024Updated 2 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated last year
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated last year
- EquiTorch: A Modularized Package for Flexibly Constructing Equivariant GNNs Building upon Pytorch-Geometric☆13Oct 31, 2024Updated last year
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- ☆16Aug 16, 2022Updated 3 years ago
- A collection of AI for Drug Design related papers and corresponding code sources (in progress).☆18Feb 25, 2022Updated 4 years ago
- ☆18Nov 29, 2025Updated 4 months ago
- ☆17Apr 10, 2024Updated last year
- Alphafold3 using mmseqs2-gpu for sequence query☆37Feb 9, 2026Updated 2 months ago
- Convergent motifs for binding sites☆26Dec 8, 2022Updated 3 years ago
- ☆42Jan 1, 2024Updated 2 years ago
- Pymolsnips is a library of PyMOL scripting language code fragments for several popular text editors.☆43May 8, 2024Updated last year
- A collections of scripts for working molecular dynamics simulations☆45Feb 6, 2026Updated 2 months ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆72Jan 23, 2026Updated 2 months ago
- ☆65Jun 27, 2025Updated 9 months ago
- Molecular Set Representation Learning☆51Jul 16, 2025Updated 8 months ago
- PoseX: A Molecular Docking Benchmark☆72Mar 23, 2026Updated 2 weeks ago
- TEIM: TCR-Epitope Interaction Modeling☆57Jul 26, 2023Updated 2 years ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆77Apr 3, 2026Updated last week
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆50Jun 21, 2023Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆75Mar 18, 2026Updated 3 weeks ago
- ☆78Feb 11, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆78Dec 20, 2023Updated 2 years ago
- ☆98Mar 4, 2026Updated last month
- JupyterLab Theme Solarized Dark☆115Dec 13, 2024Updated last year
- ☆135Aug 8, 2024Updated last year
- A curated list of awesome Molecular Dynamics libraries, tools and software.☆128Aug 2, 2021Updated 4 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆173Feb 6, 2026Updated 2 months ago
- Implementations of different GNNs from scratch for chemists☆164Feb 26, 2026Updated last month
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆188Feb 7, 2022Updated 4 years ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆209Feb 15, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Personal study of book "Low-Level Programming" by Igor Zhirkov (Apress, 2017)☆186Mar 3, 2019Updated 7 years ago
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆302Dec 8, 2025Updated 4 months ago
- Plausibility checks for generated molecule poses.☆369Mar 7, 2026Updated last month
- A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.☆335Jan 25, 2026Updated 2 months ago
- GitHub integration for JupyterLab☆438Mar 25, 2024Updated 2 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆488Mar 30, 2026Updated last week
- A Python Package for Protein Dynamics Analysis☆536Mar 9, 2026Updated last month